1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol

C13H19NOS — CID 65210779

IUPAC1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
SMILESCSc1cccc(NCC2(O)CCCC2)c1
InChIInChI=1S/C13H19NOS/c1-16-12-6-4-5-11(9-12)14-10-13(15)7-2-3-8-13/h4-6,9,14-15H,2-3,7-8,10H2,1H3
InChIKeyBTQJCYWLGUWCMP-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.13
Rot. Bonds4

About 1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol

1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol (PubChem CID 65210779) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
PubChem CID65210779
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
SMILESCSc1cccc(NCC2(O)CCCC2)c1
InChIInChI=1S/C13H19NOS/c1-16-12-6-4-5-11(9-12)14-10-13(15)7-2-3-8-13/h4-6,9,14-15H,2-3,7-8,10H2,1H3
InChIKeyBTQJCYWLGUWCMP-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol 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

1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol
CID 60899212
[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol
CID 81410870
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide
CID 60898504
1-[(3-chloroanilino)methyl]cyclobutan-1-ol
CID 131701731
1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol
CID 65210645
1-[(3-butylanilino)methyl]cyclohexan-1-ol
CID 90045580
1-[(3,4-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65211407
1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol
CID 65103274
1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol
CID 60900892
1-(3-methylsulfanylphenyl)cyclopentan-1-ol
CID 170997592
3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one
CID 46195405

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol (CID 65210779) is 1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol is CSc1cccc(NCC2(O)CCCC2)c1.
What is the InChIKey of 1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol?
The InChIKey is BTQJCYWLGUWCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-16-12-6-4-5-11(9-12)14-10-13(15)7-2-3-8-13/h4-6,9,14-15H,2-3,7-8,10H2,1H3.
What are the key properties of 1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol?
1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol has a molecular weight of 237.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65210779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).