2-methylsulfonyl-N-prop-2-enylethanesulfonamide

C6H13NO4S2 — CID 64592501

IUPAC2-methylsulfonyl-N-prop-2-enylethanesulfonamide
SMILESC=CCNS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C6H13NO4S2/c1-3-4-7-13(10,11)6-5-12(2,8)9/h3,7H,1,4-6H2,2H3
InChIKeyZUHVEQRUEHZRGG-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.86
Rot. Bonds6

About 2-methylsulfonyl-N-prop-2-enylethanesulfonamide

2-methylsulfonyl-N-prop-2-enylethanesulfonamide (PubChem CID 64592501) has the molecular formula C6H13NO4S2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methylsulfonyl-N-prop-2-enylethanesulfonamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-prop-2-enylethanesulfonamide
PubChem CID64592501
Molecular FormulaC6H13NO4S2
Molecular Weight227.31 g/mol
Exact Mass227.03
IUPAC Name2-methylsulfonyl-N-prop-2-enylethanesulfonamide
SMILESC=CCNS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C6H13NO4S2/c1-3-4-7-13(10,11)6-5-12(2,8)9/h3,7H,1,4-6H2,2H3
InChIKeyZUHVEQRUEHZRGG-UHFFFAOYSA-N
XLogP-0.86
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-methylsulfonyl-N-prop-2-enylethanesulfonamide?
The IUPAC name of 2-methylsulfonyl-N-prop-2-enylethanesulfonamide (CID 64592501) is 2-methylsulfonyl-N-prop-2-enylethanesulfonamide.
What is the SMILES notation for 2-methylsulfonyl-N-prop-2-enylethanesulfonamide?
The canonical SMILES for 2-methylsulfonyl-N-prop-2-enylethanesulfonamide is C=CCNS(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-prop-2-enylethanesulfonamide?
The InChIKey is ZUHVEQRUEHZRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S2/c1-3-4-7-13(10,11)6-5-12(2,8)9/h3,7H,1,4-6H2,2H3.
What are the key properties of 2-methylsulfonyl-N-prop-2-enylethanesulfonamide?
2-methylsulfonyl-N-prop-2-enylethanesulfonamide has a molecular weight of 227.31 g/mol, XLogP of -0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-prop-2-enylethanesulfonamide is sourced from PubChem (CID 64592501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).