N-tert-butylpent-4-ene-2-sulfonamide

C9H19NO2S — CID 155932030

IUPACN-tert-butylpent-4-ene-2-sulfonamide
SMILESC=CCC(C)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-6-7-8(2)13(11,12)10-9(3,4)5/h6,8,10H,1,7H2,2-5H3
InChIKeyZNBAYWSAAMZMCR-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.67
Rot. Bonds4

About N-tert-butylpent-4-ene-2-sulfonamide

N-tert-butylpent-4-ene-2-sulfonamide (PubChem CID 155932030) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-tert-butylpent-4-ene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butylpent-4-ene-2-sulfonamide
PubChem CID155932030
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-tert-butylpent-4-ene-2-sulfonamide
SMILESC=CCC(C)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-6-7-8(2)13(11,12)10-9(3,4)5/h6,8,10H,1,7H2,2-5H3
InChIKeyZNBAYWSAAMZMCR-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butylpent-4-ene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butylpent-4-ene-2-sulfonamide?
The IUPAC name of N-tert-butylpent-4-ene-2-sulfonamide (CID 155932030) is N-tert-butylpent-4-ene-2-sulfonamide.
What is the SMILES notation for N-tert-butylpent-4-ene-2-sulfonamide?
The canonical SMILES for N-tert-butylpent-4-ene-2-sulfonamide is C=CCC(C)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylpent-4-ene-2-sulfonamide?
The InChIKey is ZNBAYWSAAMZMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-6-7-8(2)13(11,12)10-9(3,4)5/h6,8,10H,1,7H2,2-5H3.
What are the key properties of N-tert-butylpent-4-ene-2-sulfonamide?
N-tert-butylpent-4-ene-2-sulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpent-4-ene-2-sulfonamide is sourced from PubChem (CID 155932030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).