N-methyl-N-propylethenesulfonamide

C6H13NO2S — CID 88902552

IUPACN-methyl-N-propylethenesulfonamide
SMILESC=CS(=O)(=O)N(C)CCC
InChIInChI=1S/C6H13NO2S/c1-4-6-7(3)10(8,9)5-2/h5H,2,4,6H2,1,3H3
InChIKeyGYHKRNLSZHOITQ-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.80
Rot. Bonds4

About N-methyl-N-propylethenesulfonamide

N-methyl-N-propylethenesulfonamide (PubChem CID 88902552) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-methyl-N-propylethenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-propylethenesulfonamide
PubChem CID88902552
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-methyl-N-propylethenesulfonamide
SMILESC=CS(=O)(=O)N(C)CCC
InChIInChI=1S/C6H13NO2S/c1-4-6-7(3)10(8,9)5-2/h5H,2,4,6H2,1,3H3
InChIKeyGYHKRNLSZHOITQ-UHFFFAOYSA-N
XLogP0.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propylethenesulfonamide?
The IUPAC name of N-methyl-N-propylethenesulfonamide (CID 88902552) is N-methyl-N-propylethenesulfonamide.
What is the SMILES notation for N-methyl-N-propylethenesulfonamide?
The canonical SMILES for N-methyl-N-propylethenesulfonamide is C=CS(=O)(=O)N(C)CCC.
What is the InChIKey of N-methyl-N-propylethenesulfonamide?
The InChIKey is GYHKRNLSZHOITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-4-6-7(3)10(8,9)5-2/h5H,2,4,6H2,1,3H3.
What are the key properties of N-methyl-N-propylethenesulfonamide?
N-methyl-N-propylethenesulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylethenesulfonamide is sourced from PubChem (CID 88902552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).