[1-(2-Mercapto-3-morpholin-4-yl-propyl)-piperidin-4-yl]-carbamic acid tert-butyl ester

HCID 86662007
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1CCN(CC(S)CN2CCOCC2)CC1
InChIKey
XTAGBHKVMGMOKT-UHFFFAOYSA-N
Molecular formula
C17H33N3O3S
Average molar mass
359.5 g/mol
Monoisotopic mass
359.2242631

Names & identifiers

Preferred name
[1-(2-Mercapto-3-morpholin-4-yl-propyl)-piperidin-4-yl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[1-(3-morpholin-4-yl-2-sulfanylpropyl)piperidin-4-yl]carbamate

Names & synonyms

SCHEMBL622291XTAGBHKVMGMOKT-UHFFFAOYSA-N[1-(2-mercapto-3-morpholin-4-yl-propyl)-piperidin-4-yl]-carbamic acid tert-butyl ester

Database identifiers

PubChem CID
86662007

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
55 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
24

Related reactions

6 records
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Compound notes

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