[2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine

C12H18N2S — CID 63119826

IUPAC[2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine
SMILESNCc1cccnc1SCC1CCCC1
InChIInChI=1S/C12H18N2S/c13-8-11-6-3-7-14-12(11)15-9-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9,13H2
InChIKeyBPBOXKAYNULICA-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.82
Rot. Bonds4

About [2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine

[2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine (PubChem CID 63119826) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is [2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine
PubChem CID63119826
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name[2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine
SMILESNCc1cccnc1SCC1CCCC1
InChIInChI=1S/C12H18N2S/c13-8-11-6-3-7-14-12(11)15-9-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9,13H2
InChIKeyBPBOXKAYNULICA-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine (CID 63119826) is [2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine is NCc1cccnc1SCC1CCCC1.
What is the InChIKey of [2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine?
The InChIKey is BPBOXKAYNULICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c13-8-11-6-3-7-14-12(11)15-9-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9,13H2.
What are the key properties of [2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine?
[2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine has a molecular weight of 222.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylmethylsulfanyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 63119826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).