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

C12H18N2O2S — CID 79041776

IUPAC2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
SMILESCc1ncccc1NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-9-10(6-4-8-13-9)14-11-5-3-7-12(11)17(2,15)16/h4,6,8,11-12,14H,3,5,7H2,1-2H3
InChIKeyBFFKQDIRHHTNOE-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.77
Rot. Bonds3

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

2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine (PubChem CID 79041776) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
PubChem CID79041776
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine
SMILESCc1ncccc1NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-9-10(6-4-8-13-9)14-11-5-3-7-12(11)17(2,15)16/h4,6,8,11-12,14H,3,5,7H2,1-2H3
InChIKeyBFFKQDIRHHTNOE-UHFFFAOYSA-N
XLogP1.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine?
The IUPAC name of 2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine (CID 79041776) is 2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine?
The canonical SMILES for 2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine is Cc1ncccc1NC1CCCC1S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine?
The InChIKey is BFFKQDIRHHTNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-10(6-4-8-13-9)14-11-5-3-7-12(11)17(2,15)16/h4,6,8,11-12,14H,3,5,7H2,1-2H3.
What are the key properties of 2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine?
2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine has a molecular weight of 254.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfonylcyclopentyl)pyridin-3-amine is sourced from PubChem (CID 79041776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).