N-pent-4-en-2-ylpropane-2-sulfonamide

C8H17NO2S — CID 115632062

IUPACN-pent-4-en-2-ylpropane-2-sulfonamide
SMILESC=CCC(C)NS(=O)(=O)C(C)C
InChIInChI=1S/C8H17NO2S/c1-5-6-8(4)9-12(10,11)7(2)3/h5,7-9H,1,6H2,2-4H3
InChIKeyFMGVVFHDPRRDGA-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.28
Rot. Bonds5

About N-pent-4-en-2-ylpropane-2-sulfonamide

N-pent-4-en-2-ylpropane-2-sulfonamide (PubChem CID 115632062) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-pent-4-en-2-ylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-pent-4-en-2-ylpropane-2-sulfonamide
PubChem CID115632062
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-pent-4-en-2-ylpropane-2-sulfonamide
SMILESC=CCC(C)NS(=O)(=O)C(C)C
InChIInChI=1S/C8H17NO2S/c1-5-6-8(4)9-12(10,11)7(2)3/h5,7-9H,1,6H2,2-4H3
InChIKeyFMGVVFHDPRRDGA-UHFFFAOYSA-N
XLogP1.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.28
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-pent-4-en-2-ylpropane-2-sulfonamide?
The IUPAC name of N-pent-4-en-2-ylpropane-2-sulfonamide (CID 115632062) is N-pent-4-en-2-ylpropane-2-sulfonamide.
What is the SMILES notation for N-pent-4-en-2-ylpropane-2-sulfonamide?
The canonical SMILES for N-pent-4-en-2-ylpropane-2-sulfonamide is C=CCC(C)NS(=O)(=O)C(C)C.
What is the InChIKey of N-pent-4-en-2-ylpropane-2-sulfonamide?
The InChIKey is FMGVVFHDPRRDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-5-6-8(4)9-12(10,11)7(2)3/h5,7-9H,1,6H2,2-4H3.
What are the key properties of N-pent-4-en-2-ylpropane-2-sulfonamide?
N-pent-4-en-2-ylpropane-2-sulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-en-2-ylpropane-2-sulfonamide is sourced from PubChem (CID 115632062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).