N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide

C8H14N2O2S — CID 10679621

IUPACN-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide
SMILESCN(Cc1cccn1C)S(C)(=O)=O
InChIInChI=1S/C8H14N2O2S/c1-9-6-4-5-8(9)7-10(2)13(3,11)12/h4-6H,7H2,1-3H3
InChIKeyAWLOQSXMQLLAIJ-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.42
Rot. Bonds3

About N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide

N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide (PubChem CID 10679621) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide
PubChem CID10679621
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide
SMILESCN(Cc1cccn1C)S(C)(=O)=O
InChIInChI=1S/C8H14N2O2S/c1-9-6-4-5-8(9)7-10(2)13(3,11)12/h4-6H,7H2,1-3H3
InChIKeyAWLOQSXMQLLAIJ-UHFFFAOYSA-N
XLogP0.42
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide (CID 10679621) is N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide is CN(Cc1cccn1C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide?
The InChIKey is AWLOQSXMQLLAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-9-6-4-5-8(9)7-10(2)13(3,11)12/h4-6H,7H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide?
N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide has a molecular weight of 202.28 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 10679621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).