1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine

C11H18N2O2S — CID 64629702

IUPAC1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine
SMILESCC(CS(C)(=O)=O)NCCc1ccccn1
InChIInChI=1S/C11H18N2O2S/c1-10(9-16(2,14)15)12-8-6-11-5-3-4-7-13-11/h3-5,7,10,12H,6,8-9H2,1-2H3
InChIKeyRSLDEPQFPUGSFE-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.65
Rot. Bonds6

About 1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine

1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine (PubChem CID 64629702) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine
PubChem CID64629702
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine
SMILESCC(CS(C)(=O)=O)NCCc1ccccn1
InChIInChI=1S/C11H18N2O2S/c1-10(9-16(2,14)15)12-8-6-11-5-3-4-7-13-11/h3-5,7,10,12H,6,8-9H2,1-2H3
InChIKeyRSLDEPQFPUGSFE-UHFFFAOYSA-N
XLogP0.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-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

1-N,1-N-dimethyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 82938712
(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
CID 97358782
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100
1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 64630354
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
4-methoxy-4-methyl-N-(2-pyridin-2-ylethyl)pentan-2-amine
CID 43147057
N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 79763044
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 104629114
1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 103522112
1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 54958968
2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 75443632
(1R)-1-cyclohexyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 15206944

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine (CID 64629702) is 1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine is CC(CS(C)(=O)=O)NCCc1ccccn1.
What is the InChIKey of 1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine?
The InChIKey is RSLDEPQFPUGSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-10(9-16(2,14)15)12-8-6-11-5-3-4-7-13-11/h3-5,7,10,12H,6,8-9H2,1-2H3.
What are the key properties of 1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine?
1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine has a molecular weight of 242.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine is sourced from PubChem (CID 64629702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).