N-(3-methylbut-3-enyl)methanesulfonamide

C6H13NO2S — CID 131006885

IUPACN-(3-methylbut-3-enyl)methanesulfonamide
SMILESC=C(C)CCNS(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6(2)4-5-7-10(3,8)9/h7H,1,4-5H2,2-3H3
InChIKeySECIMAPXYRNMAV-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.50
Rot. Bonds4

About N-(3-methylbut-3-enyl)methanesulfonamide

N-(3-methylbut-3-enyl)methanesulfonamide (PubChem CID 131006885) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-(3-methylbut-3-enyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methylbut-3-enyl)methanesulfonamide
PubChem CID131006885
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-(3-methylbut-3-enyl)methanesulfonamide
SMILESC=C(C)CCNS(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6(2)4-5-7-10(3,8)9/h7H,1,4-5H2,2-3H3
InChIKeySECIMAPXYRNMAV-UHFFFAOYSA-N
XLogP0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.50
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-(3-methylbut-2-enyl)methanesulfonamide
CID 103526959
N-mesyl-4-pentenylamine
CID 15267597
N-(5-methylhex-5-enyl)methanesulfonamide
CID 23563453
N-(3-methylidenecyclobutyl)methanesulfonamide
CID 67119825
N-(2-methylprop-2-enyl)methanesulfonamide
CID 89887515
N-(cyclopropylidenemethyl)methanesulfonamide
CID 91335622
N-(4-methylpent-3-enyl)methanesulfonamide
CID 131216210
N-(3-methyl-2-methylidenebutyl)methanesulfonamide
CID 163937767
N-but-3-enylmethanesulfonamide
CID 24809305
N-[(2S)-2-methylbut-3-enyl]methanesulfonamide
CID 102236540
N-(2-methylidenebutyl)methanesulfonamide
CID 126987123

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-3-enyl)methanesulfonamide?
The IUPAC name of N-(3-methylbut-3-enyl)methanesulfonamide (CID 131006885) is N-(3-methylbut-3-enyl)methanesulfonamide.
What is the SMILES notation for N-(3-methylbut-3-enyl)methanesulfonamide?
The canonical SMILES for N-(3-methylbut-3-enyl)methanesulfonamide is C=C(C)CCNS(C)(=O)=O.
What is the InChIKey of N-(3-methylbut-3-enyl)methanesulfonamide?
The InChIKey is SECIMAPXYRNMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(2)4-5-7-10(3,8)9/h7H,1,4-5H2,2-3H3.
What are the key properties of N-(3-methylbut-3-enyl)methanesulfonamide?
N-(3-methylbut-3-enyl)methanesulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-3-enyl)methanesulfonamide is sourced from PubChem (CID 131006885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).