[2-(2-amino-5-Methyl-sulfanyl-phenylamino)-ethyl]-carbamic acid tert-butyl ester

HCID 86615411
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Basic information

Standard SMILES
Cc1ccc(N)c(N(S)CCNC(=O)OC(C)(C)C)c1
InChIKey
MBGCEOZEIAWSJF-UHFFFAOYSA-N
Molecular formula
C14H23N3O2S
Average molar mass
297.42 g/mol
Monoisotopic mass
297.15109816

Names & identifiers

Preferred name
[2-(2-amino-5-Methyl-sulfanyl-phenylamino)-ethyl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[2-(2-amino-5-methyl-N-sulfanylanilino)ethyl]carbamate

Names & synonyms

SCHEMBL891297MBGCEOZEIAWSJF-UHFFFAOYSA-N[2-(2-amino-5-Methyl-sulfanyl-phenylamino)-ethyl]-carbamic acid tert-butyl ester

Database identifiers

PubChem CID
86615411

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
68.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
20

Related reactions

5 records
New reaction record

Compound notes

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