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

[2-(Dimethylamino)ethyl][(thiophen-3-yl)methyl]amine
CID 4723866
N-Methyl-3-Thiophenemethanamine
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N-(thiophen-3-ylmethyl)cyclopropanamine
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N-methyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)methanamine
CID 16768088
N-[(thiophen-3-yl)methyl]cyclopropanamine hydrochloride
CID 17332354
N-(thiophen-3-ylmethyl)cycloheptanamine
CID 4723869
1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine
CID 68776783
N-(thiophen-3-ylmethyl)propan-1-amine
CID 4723846
N-(thiophen-3-ylmethyl)butan-2-amine
CID 4723850
N-(thiophen-3-ylmethyl)prop-2-en-1-amine
CID 4723852
3-fluoro-N-(thiophen-3-ylmethyl)propan-1-amine
CID 81106824

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).