2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine

C12H18N2O2S — CID 122197578

IUPAC2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine
SMILESCc1ncccc1N[C@@H]1CCC[C@@H]1S(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/t11-,12+/m1/s1
InChIKeyBFFKQDIRHHTNOE-NEPJUHHUSA-N
MW254.35 g/mol
LogP1.77
Rot. Bonds3

About 2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine

2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine (PubChem CID 122197578) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine
PubChem CID122197578
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine
SMILESCc1ncccc1N[C@@H]1CCC[C@@H]1S(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/t11-,12+/m1/s1
InChIKeyBFFKQDIRHHTNOE-NEPJUHHUSA-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

Analyze 2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine?
The IUPAC name of 2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine (CID 122197578) is 2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine?
The canonical SMILES for 2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine is Cc1ncccc1N[C@@H]1CCC[C@@H]1S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine?
The InChIKey is BFFKQDIRHHTNOE-NEPJUHHUSA-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/t11-,12+/m1/s1.
What are the key properties of 2-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine?
2-methyl-N-[(1R,2S)-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-[(1R,2S)-2-methylsulfonylcyclopentyl]pyridin-3-amine is sourced from PubChem (CID 122197578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).