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4-[3-(t-Butoxycarbonylamino)propylsulfinyl]pyridine

HCID 19079151
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NCCCS(=O)c1ccncc1
InChIKey
GVSHBTPVHSXTGP-UHFFFAOYSA-N
Molecular formula
C13H20N2O3S
Average molar mass
284.38 g/mol

Names & identifiers

Preferred name
4-[3-(t-Butoxycarbonylamino)propylsulfinyl]pyridine
IUPAC
tert-butyl N-(3-pyridin-4-ylsulfinylpropyl)carbamate

Names & synonyms

SCHEMBL8794263GVSHBTPVHSXTGP-UHFFFAOYSA-N4-[3-(t-butoxycarbonylamino)propylsulfinyl]pyridine

Database identifiers

PubChem CID
19079151

Properties

Computed structural properties

XLogP
1
Topological polar surface area
87.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
19
Formal charge
0
Complexity
310

Related reactions

6 records
New reaction record
HRID 6189 reaction equation
HRID 6189As productuspto-grants-1993_09
HRID 135564 reaction equation
HRID 135564As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 274730 reaction equation
HRID 274730As productuspto-grants-1995_02
HRID 864028 reaction equation
HRID 864028As productuspto-grants-1996_10
HRID 964161 reaction equation
HRID 964161As productuspto-grants-1998_06
HRID 2210196 reaction equation
HRID 2210196As productuspto-grants-1995_10

Compound notes

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