N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide

C9H20N2O3S — CID 120505963

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide
SMILESCC(C)CS(=O)(=O)CC(=O)N[C@@H](C)CN
InChIInChI=1S/C9H20N2O3S/c1-7(2)5-15(13,14)6-9(12)11-8(3)4-10/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyYOHMPRSOKBFYJG-QMMMGPOBSA-N
MW236.34 g/mol
LogP-0.48
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide

N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide (PubChem CID 120505963) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide
PubChem CID120505963
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide
SMILESCC(C)CS(=O)(=O)CC(=O)N[C@@H](C)CN
InChIInChI=1S/C9H20N2O3S/c1-7(2)5-15(13,14)6-9(12)11-8(3)4-10/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyYOHMPRSOKBFYJG-QMMMGPOBSA-N
XLogP-0.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide 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

2-[[2-(2-methylpropylsulfonyl)acetyl]amino]butanoic acid
CID 119223785
(2S)-4-methyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]pentanoic acid
CID 119361439
2-(2-aminopropylsulfonyl)-N-propan-2-ylacetamide
CID 81189323
N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide
CID 104520686
2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide
CID 81189441
4-methoxy-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]butanoic acid
CID 120702381
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
2-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylpropanoic acid
CID 64914330
N-[(2S)-1-aminopropan-2-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
CID 120507600
2-acetamido-3-[2-(butan-2-ylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 107768155
(2R)-2-acetamido-3-[2-(butan-2-ylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 107774946
N-tert-butyl-2-[[2-(2-methylpropylsulfonyl)acetyl]amino]acetamide
CID 86993239

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide (CID 120505963) is N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide is CC(C)CS(=O)(=O)CC(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide?
The InChIKey is YOHMPRSOKBFYJG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-7(2)5-15(13,14)6-9(12)11-8(3)4-10/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide?
N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide has a molecular weight of 236.34 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide is sourced from PubChem (CID 120505963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).