2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine

C12H18N2S — CID 63115195

IUPAC2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine
SMILESNCC(SC1CCCC1)c1ccncc1
InChIInChI=1S/C12H18N2S/c13-9-12(10-5-7-14-8-6-10)15-11-3-1-2-4-11/h5-8,11-12H,1-4,9,13H2
InChIKeyPWYUXZVDVIIYQQ-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.76
Rot. Bonds4

About 2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine

2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine (PubChem CID 63115195) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine
PubChem CID63115195
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine
SMILESNCC(SC1CCCC1)c1ccncc1
InChIInChI=1S/C12H18N2S/c13-9-12(10-5-7-14-8-6-10)15-11-3-1-2-4-11/h5-8,11-12H,1-4,9,13H2
InChIKeyPWYUXZVDVIIYQQ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine (CID 63115195) is 2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine is NCC(SC1CCCC1)c1ccncc1.
What is the InChIKey of 2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine?
The InChIKey is PWYUXZVDVIIYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c13-9-12(10-5-7-14-8-6-10)15-11-3-1-2-4-11/h5-8,11-12H,1-4,9,13H2.
What are the key properties of 2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine?
2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine has a molecular weight of 222.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 63115195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).