(1S*,2R*,4R*)-[4-amino-2-(4-methylsulfanyl-benzenesulfonylmethyl)-cyclohexyl]-carbamic acid tert-butyl ester

HCID 68468366
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Basic information

Standard SMILES
CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)OC(C)(C)C)cc1
InChIKey
GHMCUYCENQRUII-VBQJREDUSA-N
Molecular formula
C19H30N2O4S2
Average molar mass
414.6 g/mol

Names & identifiers

Preferred name
(1S*,2R*,4R*)-[4-amino-2-(4-methylsulfanyl-benzenesulfonylmethyl)-cyclohexyl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[(1S,2R,4R)-4-amino-2-[(4-methylsulfanylphenyl)sulfonylmethyl]cyclohexyl]carbamate

Names & synonyms

SCHEMBL2990164GHMCUYCENQRUII-VBQJREDUSA-N(1S*,2R*,4R*)-[4-amino-2-(4-methylsulfanyl-benzenesulfonylmethyl)-cyclohexyl]-carbamic acid tert-butyl ester

Database identifiers

PubChem CID
68468366

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
132 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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