2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine

C13H19ClN2S — CID 64629057

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Sc1ncccc1Cl
InChIInChI=1S/C13H19ClN2S/c1-2-8-15-11-6-3-7-12(11)17-13-10(14)5-4-9-16-13/h4-5,9,11-12,15H,2-3,6-8H2,1H3
InChIKeyIYXJJABGZHJDDJ-UHFFFAOYSA-N
MW270.83 g/mol
LogP3.75
Rot. Bonds5

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine (PubChem CID 64629057) has the molecular formula C13H19ClN2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine
PubChem CID64629057
Molecular FormulaC13H19ClN2S
Molecular Weight270.83 g/mol
Exact Mass270.10
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Sc1ncccc1Cl
InChIInChI=1S/C13H19ClN2S/c1-2-8-15-11-6-3-7-12(11)17-13-10(14)5-4-9-16-13/h4-5,9,11-12,15H,2-3,6-8H2,1H3
InChIKeyIYXJJABGZHJDDJ-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine (CID 64629057) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1Sc1ncccc1Cl.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine?
The InChIKey is IYXJJABGZHJDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S/c1-2-8-15-11-6-3-7-12(11)17-13-10(14)5-4-9-16-13/h4-5,9,11-12,15H,2-3,6-8H2,1H3.
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine has a molecular weight of 270.83 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64629057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).