N-(1-methylcyclopent-3-en-1-yl)methanesulfonamide

C7H13NO2S — CID 6502013

IUPACN-(1-methylcyclopent-3-en-1-yl)methanesulfonamide
SMILESCC1(NS(C)(=O)=O)CC=CC1
InChIInChI=1S/C7H13NO2S/c1-7(5-3-4-6-7)8-11(2,9)10/h3-4,8H,5-6H2,1-2H3
InChIKeyGCYMETOAXKGUQH-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.64
Rot. Bonds2

About N-(1-methylcyclopent-3-en-1-yl)methanesulfonamide

N-(1-methylcyclopent-3-en-1-yl)methanesulfonamide (PubChem CID 6502013) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-(1-methylcyclopent-3-en-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopent-3-en-1-yl)methanesulfonamide
PubChem CID6502013
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-(1-methylcyclopent-3-en-1-yl)methanesulfonamide
SMILESCC1(NS(C)(=O)=O)CC=CC1
InChIInChI=1S/C7H13NO2S/c1-7(5-3-4-6-7)8-11(2,9)10/h3-4,8H,5-6H2,1-2H3
InChIKeyGCYMETOAXKGUQH-UHFFFAOYSA-N
XLogP0.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopent-3-en-1-yl)methanesulfonamide?
The IUPAC name of N-(1-methylcyclopent-3-en-1-yl)methanesulfonamide (CID 6502013) is N-(1-methylcyclopent-3-en-1-yl)methanesulfonamide.
What is the SMILES notation for N-(1-methylcyclopent-3-en-1-yl)methanesulfonamide?
The canonical SMILES for N-(1-methylcyclopent-3-en-1-yl)methanesulfonamide is CC1(NS(C)(=O)=O)CC=CC1.
What is the InChIKey of N-(1-methylcyclopent-3-en-1-yl)methanesulfonamide?
The InChIKey is GCYMETOAXKGUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-7(5-3-4-6-7)8-11(2,9)10/h3-4,8H,5-6H2,1-2H3.
What are the key properties of N-(1-methylcyclopent-3-en-1-yl)methanesulfonamide?
N-(1-methylcyclopent-3-en-1-yl)methanesulfonamide has a molecular weight of 175.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopent-3-en-1-yl)methanesulfonamide is sourced from PubChem (CID 6502013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).