2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine

C12H17ClN2O2S — CID 65484127

IUPAC2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C12H17ClN2O2S/c1-8-6-7-14-12(13)11(8)15-9-4-3-5-10(9)18(2,16)17/h6-7,9-10,15H,3-5H2,1-2H3
InChIKeyUEHUYSJPHCORSX-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.42
Rot. Bonds3

About 2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine

2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine (PubChem CID 65484127) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
PubChem CID65484127
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C12H17ClN2O2S/c1-8-6-7-14-12(13)11(8)15-9-4-3-5-10(9)18(2,16)17/h6-7,9-10,15H,3-5H2,1-2H3
InChIKeyUEHUYSJPHCORSX-UHFFFAOYSA-N
XLogP2.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine (CID 65484127) is 2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine is Cc1ccnc(Cl)c1NC1CCCC1S(C)(=O)=O.
What is the InChIKey of 2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine?
The InChIKey is UEHUYSJPHCORSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-8-6-7-14-12(13)11(8)15-9-4-3-5-10(9)18(2,16)17/h6-7,9-10,15H,3-5H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine?
2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine has a molecular weight of 288.80 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine is sourced from PubChem (CID 65484127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).