4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol

C17H20N2S — CID 71658114

IUPAC4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol
SMILESSc1ccc(N[C@H]2CCC[C@@H]2Nc2ccccc2)cc1
InChIInChI=1S/C17H20N2S/c20-15-11-9-14(10-12-15)19-17-8-4-7-16(17)18-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-20H,4,7-8H2/t16-,17-/m0/s1
InChIKeyMIYWMWFPECLPMV-IRXDYDNUSA-N
MW284.43 g/mol
LogP4.42
Rot. Bonds4

About 4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol

4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol (PubChem CID 71658114) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol.

Molecular Properties

Compound Name4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol
PubChem CID71658114
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol
SMILESSc1ccc(N[C@H]2CCC[C@@H]2Nc2ccccc2)cc1
InChIInChI=1S/C17H20N2S/c20-15-11-9-14(10-12-15)19-17-8-4-7-16(17)18-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-20H,4,7-8H2/t16-,17-/m0/s1
InChIKeyMIYWMWFPECLPMV-IRXDYDNUSA-N
XLogP4.42
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
CID 142660752
4-(cyclopropylamino)benzenethiol
CID 142049671
1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117122
N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline
CID 86338512
N-(2-tert-butylcyclohexyl)aniline
CID 43100698
2-anilinocyclohexane-1-carbonitrile
CID 62741639
2-N-(4-phenylphenyl)cyclohexane-1,2-diamine
CID 115117777
2-anilinocycloheptane-1-carbonitrile
CID 62741640
N-(2-methylcyclohexyl)-4-phenylaniline
CID 43716847
trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine
CID 102496168
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754
2-anilino-N-phenylcyclohexane-1-carboxamide
CID 12512570

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol?
The IUPAC name of 4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol (CID 71658114) is 4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol.
What is the SMILES notation for 4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol?
The canonical SMILES for 4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol is Sc1ccc(N[C@H]2CCC[C@@H]2Nc2ccccc2)cc1.
What is the InChIKey of 4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol?
The InChIKey is MIYWMWFPECLPMV-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H20N2S/c20-15-11-9-14(10-12-15)19-17-8-4-7-16(17)18-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-20H,4,7-8H2/t16-,17-/m0/s1.
What are the key properties of 4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol?
4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol has a molecular weight of 284.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol is sourced from PubChem (CID 71658114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).