N-(3-methylbut-2-enyl)propane-1-sulfonamide

C8H17NO2S — CID 103526911

IUPACN-(3-methylbut-2-enyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC=C(C)C
InChIInChI=1S/C8H17NO2S/c1-4-7-12(10,11)9-6-5-8(2)3/h5,9H,4,6-7H2,1-3H3
InChIKeyCBXIVZFYILYOCM-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.28
Rot. Bonds5

About N-(3-methylbut-2-enyl)propane-1-sulfonamide

N-(3-methylbut-2-enyl)propane-1-sulfonamide (PubChem CID 103526911) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)propane-1-sulfonamide
PubChem CID103526911
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(3-methylbut-2-enyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC=C(C)C
InChIInChI=1S/C8H17NO2S/c1-4-7-12(10,11)9-6-5-8(2)3/h5,9H,4,6-7H2,1-3H3
InChIKeyCBXIVZFYILYOCM-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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Related Compounds

N-(2-ethylsulfonylethyl)-3-methylbut-2-en-1-amine
CID 106547093
2-(2-aminophenyl)sulfanyl-N-(3-methylbut-2-enyl)ethanesulfonamide
CID 106180578
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
3-methyl-N-propylbut-2-en-1-amine
CID 55206819
N,3-dimethylbut-2-en-1-amine
CID 12688299
2-hydroxy-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106191097
N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide
CID 167457768
6-amino-2,3-dimethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180563
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
N,3-dimethylbut-2-en-1-amine;hydrochloride
CID 155386233
N-octadecylpropane-1-sulfonamide
CID 88827291
N-(2-sulfamoylethyl)propane-1-sulfonamide
CID 61131733

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)propane-1-sulfonamide?
The IUPAC name of N-(3-methylbut-2-enyl)propane-1-sulfonamide (CID 103526911) is N-(3-methylbut-2-enyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-methylbut-2-enyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC=C(C)C.
What is the InChIKey of N-(3-methylbut-2-enyl)propane-1-sulfonamide?
The InChIKey is CBXIVZFYILYOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-7-12(10,11)9-6-5-8(2)3/h5,9H,4,6-7H2,1-3H3.
What are the key properties of N-(3-methylbut-2-enyl)propane-1-sulfonamide?
N-(3-methylbut-2-enyl)propane-1-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-(3-methylbut-2-enyl)propane-1-sulfonamide is sourced from PubChem (CID 103526911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).