N-(5-methylhex-4-enyl)methanesulfonamide

C8H17NO2S — CID 166441657

IUPACN-(5-methylhex-4-enyl)methanesulfonamide
SMILESCC(C)=CCCCNS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-8(2)6-4-5-7-9-12(3,10)11/h6,9H,4-5,7H2,1-3H3
InChIKeyMVGCMDXOSHNUDL-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.28
Rot. Bonds5

About N-(5-methylhex-4-enyl)methanesulfonamide

N-(5-methylhex-4-enyl)methanesulfonamide (PubChem CID 166441657) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(5-methylhex-4-enyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-methylhex-4-enyl)methanesulfonamide
PubChem CID166441657
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(5-methylhex-4-enyl)methanesulfonamide
SMILESCC(C)=CCCCNS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-8(2)6-4-5-7-9-12(3,10)11/h6,9H,4-5,7H2,1-3H3
InChIKeyMVGCMDXOSHNUDL-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(5-methylhex-4-enyl)methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(1-cyclohexen-1-yl)ethyl]methanesulfonamide
CID 3246760
N-[(E)-hept-4-enyl]methanesulfonamide
CID 134862066
N-(5-methylhex-4-enyl)butane-1-sulfonamide
CID 138967449
(E)-N-(3,7-dimethylocta-2,6-dien-1-yl)methanesulfonamide
CID 15641109
N-(5-methylhex-5-enyl)methanesulfonamide
CID 23563453
(1E)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide
CID 56942410
(1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide
CID 56942411
methyl N-[2-[2-(methanesulfonamido)ethyl]hept-2-enyl]sulfamate
CID 58761569
methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]but-2-enyl]sulfamate
CID 58850995
methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]pent-2-enyl]sulfamate
CID 59841424
methyl N-[(Z)-2-[2-(methanesulfonamido)ethyl]hex-2-enyl]sulfamate
CID 59841425
N-(4-ethylidenecyclohexyl)methanesulfonamide
CID 71122467

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhex-4-enyl)methanesulfonamide?
The IUPAC name of N-(5-methylhex-4-enyl)methanesulfonamide (CID 166441657) is N-(5-methylhex-4-enyl)methanesulfonamide.
What is the SMILES notation for N-(5-methylhex-4-enyl)methanesulfonamide?
The canonical SMILES for N-(5-methylhex-4-enyl)methanesulfonamide is CC(C)=CCCCNS(C)(=O)=O.
What is the InChIKey of N-(5-methylhex-4-enyl)methanesulfonamide?
The InChIKey is MVGCMDXOSHNUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2)6-4-5-7-9-12(3,10)11/h6,9H,4-5,7H2,1-3H3.
What are the key properties of N-(5-methylhex-4-enyl)methanesulfonamide?
N-(5-methylhex-4-enyl)methanesulfonamide 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-(5-methylhex-4-enyl)methanesulfonamide is sourced from PubChem (CID 166441657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).