1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine

C14H22N2S — CID 63119274

IUPAC1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine
SMILESCC(N)C(SCC1CCCC1)c1ccncc1
InChIInChI=1S/C14H22N2S/c1-11(15)14(13-6-8-16-9-7-13)17-10-12-4-2-3-5-12/h6-9,11-12,14H,2-5,10,15H2,1H3
InChIKeyODMWXCFMILILGZ-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.39
Rot. Bonds5

About 1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine

1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine (PubChem CID 63119274) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine
PubChem CID63119274
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine
SMILESCC(N)C(SCC1CCCC1)c1ccncc1
InChIInChI=1S/C14H22N2S/c1-11(15)14(13-6-8-16-9-7-13)17-10-12-4-2-3-5-12/h6-9,11-12,14H,2-5,10,15H2,1H3
InChIKeyODMWXCFMILILGZ-UHFFFAOYSA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine (CID 63119274) is 1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine is CC(N)C(SCC1CCCC1)c1ccncc1.
What is the InChIKey of 1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine?
The InChIKey is ODMWXCFMILILGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11(15)14(13-6-8-16-9-7-13)17-10-12-4-2-3-5-12/h6-9,11-12,14H,2-5,10,15H2,1H3.
What are the key properties of 1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine?
1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine has a molecular weight of 250.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 63119274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).