N-ethenylbutane-1-sulfonamide

C6H13NO2S — CID 18918584

IUPACN-ethenylbutane-1-sulfonamide
SMILESC=CNS(=O)(=O)CCCC
InChIInChI=1S/C6H13NO2S/c1-3-5-6-10(8,9)7-4-2/h4,7H,2-3,5-6H2,1H3
InChIKeyOLVAOLZUGRCRQB-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.85
Rot. Bonds5

About N-ethenylbutane-1-sulfonamide

N-ethenylbutane-1-sulfonamide (PubChem CID 18918584) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-ethenylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-ethenylbutane-1-sulfonamide
PubChem CID18918584
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-ethenylbutane-1-sulfonamide
SMILESC=CNS(=O)(=O)CCCC
InChIInChI=1S/C6H13NO2S/c1-3-5-6-10(8,9)7-4-2/h4,7H,2-3,5-6H2,1H3
InChIKeyOLVAOLZUGRCRQB-UHFFFAOYSA-N
XLogP0.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenylbutane-1-sulfonamide?
The IUPAC name of N-ethenylbutane-1-sulfonamide (CID 18918584) is N-ethenylbutane-1-sulfonamide.
What is the SMILES notation for N-ethenylbutane-1-sulfonamide?
The canonical SMILES for N-ethenylbutane-1-sulfonamide is C=CNS(=O)(=O)CCCC.
What is the InChIKey of N-ethenylbutane-1-sulfonamide?
The InChIKey is OLVAOLZUGRCRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-5-6-10(8,9)7-4-2/h4,7H,2-3,5-6H2,1H3.
What are the key properties of N-ethenylbutane-1-sulfonamide?
N-ethenylbutane-1-sulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylbutane-1-sulfonamide is sourced from PubChem (CID 18918584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).