N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide

C6H12N2O2S — CID 58158830

IUPACN-(1-methylpyrrolidin-2-ylidene)methanesulfonamide
SMILESCN1CCCC1=NS(C)(=O)=O
InChIInChI=1S/C6H12N2O2S/c1-8-5-3-4-6(8)7-11(2,9)10/h3-5H2,1-2H3
InChIKeyXGTMEONWLGXPKZ-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.07
Rot. Bonds1

About N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide

N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide (PubChem CID 58158830) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-2-ylidene)methanesulfonamide
PubChem CID58158830
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC NameN-(1-methylpyrrolidin-2-ylidene)methanesulfonamide
SMILESCN1CCCC1=NS(C)(=O)=O
InChIInChI=1S/C6H12N2O2S/c1-8-5-3-4-6(8)7-11(2,9)10/h3-5H2,1-2H3
InChIKeyXGTMEONWLGXPKZ-UHFFFAOYSA-N
XLogP0.07
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide?
The IUPAC name of N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide (CID 58158830) is N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide.
What is the SMILES notation for N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide?
The canonical SMILES for N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide is CN1CCCC1=NS(C)(=O)=O.
What is the InChIKey of N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide?
The InChIKey is XGTMEONWLGXPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-8-5-3-4-6(8)7-11(2,9)10/h3-5H2,1-2H3.
What are the key properties of N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide?
N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide has a molecular weight of 176.24 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide is sourced from PubChem (CID 58158830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).