3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine

C11H17NS2 — CID 115656335

IUPAC3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
SMILESCSC1CCC(NCc2ccsc2)C1
InChIInChI=1S/C11H17NS2/c1-13-11-3-2-10(6-11)12-7-9-4-5-14-8-9/h4-5,8,10-12H,2-3,6-7H2,1H3
InChIKeyPBUYMGRSRDXVHH-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.12
Rot. Bonds4

About 3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine

3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine (PubChem CID 115656335) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
PubChem CID115656335
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
SMILESCSC1CCC(NCc2ccsc2)C1
InChIInChI=1S/C11H17NS2/c1-13-11-3-2-10(6-11)12-7-9-4-5-14-8-9/h4-5,8,10-12H,2-3,6-7H2,1H3
InChIKeyPBUYMGRSRDXVHH-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701416
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 55174100
2,6-difluoro-4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 113251438
3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 103701377
3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 115970469
N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103675931
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine
CID 114122843
3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 103701381
1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine
CID 63248071

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine (CID 115656335) is 3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine is CSC1CCC(NCc2ccsc2)C1.
What is the InChIKey of 3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine?
The InChIKey is PBUYMGRSRDXVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-13-11-3-2-10(6-11)12-7-9-4-5-14-8-9/h4-5,8,10-12H,2-3,6-7H2,1H3.
What are the key properties of 3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine?
3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 115656335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).