3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

C12H19N3O2S — CID 114598848

IUPAC3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESCS(=O)(=O)c1cccnc1NCCN1CCCC1
InChIInChI=1S/C12H19N3O2S/c1-18(16,17)11-5-4-6-13-12(11)14-7-10-15-8-2-3-9-15/h4-6H,2-3,7-10H2,1H3,(H,13,14)
InChIKeyNVISDYPPQCXADS-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.99
Rot. Bonds5

About 3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (PubChem CID 114598848) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
PubChem CID114598848
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESCS(=O)(=O)c1cccnc1NCCN1CCCC1
InChIInChI=1S/C12H19N3O2S/c1-18(16,17)11-5-4-6-13-12(11)14-7-10-15-8-2-3-9-15/h4-6H,2-3,7-10H2,1H3,(H,13,14)
InChIKeyNVISDYPPQCXADS-UHFFFAOYSA-N
XLogP0.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
CID 114598691
2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide
CID 133351386
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
CID 104969986
3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 114598706
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239
N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine
CID 83064744
3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 114598779
1-[2-[(3-methylsulfonyl-2-pyridinyl)amino]ethyl]triazole-4-carboxylic acid
CID 114598311
1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598870

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The IUPAC name of 3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (CID 114598848) is 3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is CS(=O)(=O)c1cccnc1NCCN1CCCC1.
What is the InChIKey of 3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The InChIKey is NVISDYPPQCXADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-18(16,17)11-5-4-6-13-12(11)14-7-10-15-8-2-3-9-15/h4-6H,2-3,7-10H2,1H3,(H,13,14).
What are the key properties of 3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine has a molecular weight of 269.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 114598848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).