2-(3-amino-2-methylpropyl)sulfonylpropanamide

C7H16N2O3S — CID 81202082

IUPAC2-(3-amino-2-methylpropyl)sulfonylpropanamide
SMILESCC(CN)CS(=O)(=O)C(C)C(N)=O
InChIInChI=1S/C7H16N2O3S/c1-5(3-8)4-13(11,12)6(2)7(9)10/h5-6H,3-4,8H2,1-2H3,(H2,9,10)
InChIKeyWHBLJMLSDLUDGH-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.13
Rot. Bonds5

About 2-(3-amino-2-methylpropyl)sulfonylpropanamide

2-(3-amino-2-methylpropyl)sulfonylpropanamide (PubChem CID 81202082) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfonylpropanamide
PubChem CID81202082
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-(3-amino-2-methylpropyl)sulfonylpropanamide
SMILESCC(CN)CS(=O)(=O)C(C)C(N)=O
InChIInChI=1S/C7H16N2O3S/c1-5(3-8)4-13(11,12)6(2)7(9)10/h5-6H,3-4,8H2,1-2H3,(H2,9,10)
InChIKeyWHBLJMLSDLUDGH-UHFFFAOYSA-N
XLogP-1.13
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-amino-2-methylpropyl)sulfonylpropanamide 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-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81202396
3-ethylsulfonyl-2-methylpropan-1-amine
CID 64698202
4-[(3-amino-2-methylpropyl)sulfonylmethyl]benzamide
CID 81196401
2-(2-methylbutylsulfonyl)propanoic acid
CID 62105863
3-(4-methoxybutan-2-ylsulfonyl)-2-methylpropan-1-amine
CID 116500598
2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine
CID 106735833
3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide
CID 81202087
(2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide
CID 94216030
(2S)-2-methyl-3-methylsulfonylpropanamide
CID 57086977
sodium;(3-amino-2-methylpropyl)sulfonyl prop-2-enoate;hydride
CID 175385269
3-butylsulfonyl-2-methylpropan-1-amine
CID 64698847
2,2-bis(ethylsulfonyl)acetamide
CID 57211118

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfonylpropanamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfonylpropanamide (CID 81202082) is 2-(3-amino-2-methylpropyl)sulfonylpropanamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfonylpropanamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfonylpropanamide is CC(CN)CS(=O)(=O)C(C)C(N)=O.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfonylpropanamide?
The InChIKey is WHBLJMLSDLUDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-5(3-8)4-13(11,12)6(2)7(9)10/h5-6H,3-4,8H2,1-2H3,(H2,9,10).
What are the key properties of 2-(3-amino-2-methylpropyl)sulfonylpropanamide?
2-(3-amino-2-methylpropyl)sulfonylpropanamide has a molecular weight of 208.28 g/mol, XLogP of -1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfonylpropanamide is sourced from PubChem (CID 81202082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).