N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide

C9H16N2O2S — CID 63858847

IUPACN-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide
SMILESCC(C)(Cn1cccc1)NS(C)(=O)=O
InChIInChI=1S/C9H16N2O2S/c1-9(2,10-14(3,12)13)8-11-6-4-5-7-11/h4-7,10H,8H2,1-3H3
InChIKeyFHKPBVNQMHQZDV-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.82
Rot. Bonds4

About N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide

N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide (PubChem CID 63858847) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide
PubChem CID63858847
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide
SMILESCC(C)(Cn1cccc1)NS(C)(=O)=O
InChIInChI=1S/C9H16N2O2S/c1-9(2,10-14(3,12)13)8-11-6-4-5-7-11/h4-7,10H,8H2,1-3H3
InChIKeyFHKPBVNQMHQZDV-UHFFFAOYSA-N
XLogP0.82
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide 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-[2-methyl-1-(3-methyl-2,5-dioxopyrrol-1-yl)propan-2-yl]methanesulfonamide
CID 63859347
1-ethylpyrrole;methanesulfonic acid
CID 175583443
N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride
CID 55280057
1-[2-(methanesulfonamido)-2-methylpropyl]-6-oxopyridine-3-carboxylic acid
CID 63858504
N-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
CID 65344577
3-[2-(methanesulfonamido)-2-methylpropyl]benzotriazole-4-carboxylic acid
CID 115931991
1-[2-(methanesulfonamido)-2-methylpropyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
CID 63858503
N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]methanesulfonamide
CID 89331793
N-[2-methyl-1-(2-nitroanilino)propan-2-yl]methanesulfonamide
CID 63858648
N-[1-(5-aminobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
CID 63859552
N-tert-butylmethanesulfonamide;2,2-dimethylpropane
CID 161299007
N-[2-methyl-1-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propan-2-yl]methanesulfonamide
CID 115948315

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide (CID 63858847) is N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide is CC(C)(Cn1cccc1)NS(C)(=O)=O.
What is the InChIKey of N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide?
The InChIKey is FHKPBVNQMHQZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-9(2,10-14(3,12)13)8-11-6-4-5-7-11/h4-7,10H,8H2,1-3H3.
What are the key properties of N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide?
N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide has a molecular weight of 216.31 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 63858847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).