N-(2-methylidenebutyl)methanesulfonamide

C6H13NO2S — CID 126987123

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

About N-(2-methylidenebutyl)methanesulfonamide

N-(2-methylidenebutyl)methanesulfonamide (PubChem CID 126987123) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-(2-methylidenebutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylidenebutyl)methanesulfonamide
PubChem CID126987123
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-(2-methylidenebutyl)methanesulfonamide
SMILESC=C(CC)CNS(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-4-6(2)5-7-10(3,8)9/h7H,2,4-5H2,1,3H3
InChIKeyBZXVQZYJBXYECU-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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Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenebutyl)methanesulfonamide?
The IUPAC name of N-(2-methylidenebutyl)methanesulfonamide (CID 126987123) is N-(2-methylidenebutyl)methanesulfonamide.
What is the SMILES notation for N-(2-methylidenebutyl)methanesulfonamide?
The canonical SMILES for N-(2-methylidenebutyl)methanesulfonamide is C=C(CC)CNS(C)(=O)=O.
What is the InChIKey of N-(2-methylidenebutyl)methanesulfonamide?
The InChIKey is BZXVQZYJBXYECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-4-6(2)5-7-10(3,8)9/h7H,2,4-5H2,1,3H3.
What are the key properties of N-(2-methylidenebutyl)methanesulfonamide?
N-(2-methylidenebutyl)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-(2-methylidenebutyl)methanesulfonamide is sourced from PubChem (CID 126987123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).