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

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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).