3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine

C12H18N2S — CID 115656374

IUPAC3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
SMILESCSC1CCC(NCc2ccccn2)C1
InChIInChI=1S/C12H18N2S/c1-15-12-6-5-10(8-12)14-9-11-4-2-3-7-13-11/h2-4,7,10,12,14H,5-6,8-9H2,1H3
InChIKeyBQWPMDDDIGZGSW-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.46
Rot. Bonds4

About 3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine

3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine (PubChem CID 115656374) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
PubChem CID115656374
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
SMILESCSC1CCC(NCc2ccccn2)C1
InChIInChI=1S/C12H18N2S/c1-15-12-6-5-10(8-12)14-9-11-4-2-3-7-13-11/h2-4,7,10,12,14H,5-6,8-9H2,1H3
InChIKeyBQWPMDDDIGZGSW-UHFFFAOYSA-N
XLogP2.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 103701386
iodoethane;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine
CID 159564484
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 43632173
N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434617
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine
CID 114122843
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine (CID 115656374) is 3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine is CSC1CCC(NCc2ccccn2)C1.
What is the InChIKey of 3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is BQWPMDDDIGZGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-15-12-6-5-10(8-12)14-9-11-4-2-3-7-13-11/h2-4,7,10,12,14H,5-6,8-9H2,1H3.
What are the key properties of 3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine?
3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 222.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 115656374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).