1-methylsulfonylpropan-2-amine

C4H11NO2S — CID 54593156

IUPAC1-methylsulfonylpropan-2-amine
SMILESCC(N)CS(C)(=O)=O
InChIInChI=1S/C4H11NO2S/c1-4(5)3-8(2,6)7/h4H,3,5H2,1-2H3
InChIKeyNKJASCWYRCSSQE-UHFFFAOYSA-N
MW137.20 g/mol
LogP-0.62
Rot. Bonds2

About 1-methylsulfonylpropan-2-amine

1-methylsulfonylpropan-2-amine (PubChem CID 54593156) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is 1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-methylsulfonylpropan-2-amine
PubChem CID54593156
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC Name1-methylsulfonylpropan-2-amine
SMILESCC(N)CS(C)(=O)=O
InChIInChI=1S/C4H11NO2S/c1-4(5)3-8(2,6)7/h4H,3,5H2,1-2H3
InChIKeyNKJASCWYRCSSQE-UHFFFAOYSA-N
XLogP-0.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfonylpropan-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

3-Thiophenamine, tetrahydro-, 1,1-dioxide
CID 22807
2-Amino-3-methylsulfinylpropane-1-thiol
CID 15159721
2-Amino-4-methylsulfinylbutane-1-thiol
CID 44458314
4-Methanesulfonylbutan-2-amine
CID 23562465
2-(Methylsulfonyl)ethanamine
CID 4340561
3-Aminotetrahydrothiopene 1,1-dioxide hydrochloride
CID 2795201
3-(Methylsulfonyl)propan-1-amine
CID 21949286
Methylsulfonylbutylamine
CID 191144
4-Amino-1lambda6-thiane-1,1-dione hydrochloride
CID 518319
2-Methanesulfonylpropan-1-amine
CID 54446112
(1-Methanesulfonylpropan-2-yl)(methyl)amine
CID 54592895
3-Amino-1$l^{6}-thiane-1,1-dione
CID 14024577

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpropan-2-amine?
The IUPAC name of 1-methylsulfonylpropan-2-amine (CID 54593156) is 1-methylsulfonylpropan-2-amine.
What is the SMILES notation for 1-methylsulfonylpropan-2-amine?
The canonical SMILES for 1-methylsulfonylpropan-2-amine is CC(N)CS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonylpropan-2-amine?
The InChIKey is NKJASCWYRCSSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-4(5)3-8(2,6)7/h4H,3,5H2,1-2H3.
What are the key properties of 1-methylsulfonylpropan-2-amine?
1-methylsulfonylpropan-2-amine has a molecular weight of 137.20 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 54593156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).