N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide

C12H21N3O3S — CID 96531022

IUPACN-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide
SMILESCC[C@H](C)CS(=O)(=O)NC(=O)CCc1cnn(C)c1
InChIInChI=1S/C12H21N3O3S/c1-4-10(2)9-19(17,18)14-12(16)6-5-11-7-13-15(3)8-11/h7-8,10H,4-6,9H2,1-3H3,(H,14,16)/t10-/m0/s1
InChIKeyATWXYHMOAWVCSN-JTQLQIEISA-N
MW287.38 g/mol
LogP0.84
Rot. Bonds7

About N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide

N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 96531022) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID96531022
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide
SMILESCC[C@H](C)CS(=O)(=O)NC(=O)CCc1cnn(C)c1
InChIInChI=1S/C12H21N3O3S/c1-4-10(2)9-19(17,18)14-12(16)6-5-11-7-13-15(3)8-11/h7-8,10H,4-6,9H2,1-3H3,(H,14,16)/t10-/m0/s1
InChIKeyATWXYHMOAWVCSN-JTQLQIEISA-N
XLogP0.84
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide 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-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298388
(2S,3S)-3-methyl-2-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119194048
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide
CID 75392033
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
2-methyl-2-[3-(1-methylpyrazol-4-yl)propanoylamino]butanoic acid
CID 119199294
4-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)butan-2-one
CID 103023542
1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103023663
N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 119587844
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 119608019
1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one
CID 103023561
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 80683092

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide (CID 96531022) is N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide is CC[C@H](C)CS(=O)(=O)NC(=O)CCc1cnn(C)c1.
What is the InChIKey of N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is ATWXYHMOAWVCSN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-4-10(2)9-19(17,18)14-12(16)6-5-11-7-13-15(3)8-11/h7-8,10H,4-6,9H2,1-3H3,(H,14,16)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide?
N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 287.38 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 96531022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).