N-methyl-N-(4-methylpent-4-enyl)methanesulfonamide

C8H17NO2S — CID 88991762

IUPACN-methyl-N-(4-methylpent-4-enyl)methanesulfonamide
SMILESC=C(C)CCCN(C)S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-8(2)6-5-7-9(3)12(4,10)11/h1,5-7H2,2-4H3
InChIKeyXYSFEADDTSXVNM-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.23
Rot. Bonds5

About N-methyl-N-(4-methylpent-4-enyl)methanesulfonamide

N-methyl-N-(4-methylpent-4-enyl)methanesulfonamide (PubChem CID 88991762) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-methyl-N-(4-methylpent-4-enyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpent-4-enyl)methanesulfonamide
PubChem CID88991762
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-methyl-N-(4-methylpent-4-enyl)methanesulfonamide
SMILESC=C(C)CCCN(C)S(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-8(2)6-5-7-9(3)12(4,10)11/h1,5-7H2,2-4H3
InChIKeyXYSFEADDTSXVNM-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
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-methyl-N-(4-methylpent-4-enyl)methanesulfonamide?
The IUPAC name of N-methyl-N-(4-methylpent-4-enyl)methanesulfonamide (CID 88991762) is N-methyl-N-(4-methylpent-4-enyl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(4-methylpent-4-enyl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(4-methylpent-4-enyl)methanesulfonamide is C=C(C)CCCN(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(4-methylpent-4-enyl)methanesulfonamide?
The InChIKey is XYSFEADDTSXVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2)6-5-7-9(3)12(4,10)11/h1,5-7H2,2-4H3.
What are the key properties of N-methyl-N-(4-methylpent-4-enyl)methanesulfonamide?
N-methyl-N-(4-methylpent-4-enyl)methanesulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpent-4-enyl)methanesulfonamide is sourced from PubChem (CID 88991762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).