N-(1H-pyrrol-2-ylmethyl)methanesulfonamide

C6H10N2O2S — CID 110873965

IUPACN-(1H-pyrrol-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc[nH]1
InChIInChI=1S/C6H10N2O2S/c1-11(9,10)8-5-6-3-2-4-7-6/h2-4,7-8H,5H2,1H3
InChIKeyGLJXWBVEEYDFHA-UHFFFAOYSA-N
MW174.23 g/mol
LogP0.06
Rot. Bonds3

About N-(1H-pyrrol-2-ylmethyl)methanesulfonamide

N-(1H-pyrrol-2-ylmethyl)methanesulfonamide (PubChem CID 110873965) has the molecular formula C6H10N2O2S and a molecular weight of 174.23 g/mol. Its IUPAC name is N-(1H-pyrrol-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1H-pyrrol-2-ylmethyl)methanesulfonamide
PubChem CID110873965
Molecular FormulaC6H10N2O2S
Molecular Weight174.23 g/mol
Exact Mass174.05
IUPAC NameN-(1H-pyrrol-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc[nH]1
InChIInChI=1S/C6H10N2O2S/c1-11(9,10)8-5-6-3-2-4-7-6/h2-4,7-8H,5H2,1H3
InChIKeyGLJXWBVEEYDFHA-UHFFFAOYSA-N
XLogP0.06
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-(1H-pyrrol-2-ylmethyl)methanesulfonamide (CID 110873965) is N-(1H-pyrrol-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(1H-pyrrol-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(1H-pyrrol-2-ylmethyl)methanesulfonamide is CS(=O)(=O)NCc1ccc[nH]1.
What is the InChIKey of N-(1H-pyrrol-2-ylmethyl)methanesulfonamide?
The InChIKey is GLJXWBVEEYDFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-11(9,10)8-5-6-3-2-4-7-6/h2-4,7-8H,5H2,1H3.
What are the key properties of N-(1H-pyrrol-2-ylmethyl)methanesulfonamide?
N-(1H-pyrrol-2-ylmethyl)methanesulfonamide has a molecular weight of 174.23 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 110873965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).