N-(2,2-dimethylpent-3-enyl)methanesulfonamide

C8H17NO2S — CID 134568121

IUPACN-(2,2-dimethylpent-3-enyl)methanesulfonamide
SMILESCC=CC(C)(C)CNS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-5-6-8(2,3)7-9-12(4,10)11/h5-6,9H,7H2,1-4H3
InChIKeyGXDZPIJLPVSGHC-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.14
Rot. Bonds4

About N-(2,2-dimethylpent-3-enyl)methanesulfonamide

N-(2,2-dimethylpent-3-enyl)methanesulfonamide (PubChem CID 134568121) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(2,2-dimethylpent-3-enyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpent-3-enyl)methanesulfonamide
PubChem CID134568121
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(2,2-dimethylpent-3-enyl)methanesulfonamide
SMILESCC=CC(C)(C)CNS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-5-6-8(2,3)7-9-12(4,10)11/h5-6,9H,7H2,1-4H3
InChIKeyGXDZPIJLPVSGHC-UHFFFAOYSA-N
XLogP1.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.14
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-(2,2-dimethylpent-3-enyl)methanesulfonamide?
The IUPAC name of N-(2,2-dimethylpent-3-enyl)methanesulfonamide (CID 134568121) is N-(2,2-dimethylpent-3-enyl)methanesulfonamide.
What is the SMILES notation for N-(2,2-dimethylpent-3-enyl)methanesulfonamide?
The canonical SMILES for N-(2,2-dimethylpent-3-enyl)methanesulfonamide is CC=CC(C)(C)CNS(C)(=O)=O.
What is the InChIKey of N-(2,2-dimethylpent-3-enyl)methanesulfonamide?
The InChIKey is GXDZPIJLPVSGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-5-6-8(2,3)7-9-12(4,10)11/h5-6,9H,7H2,1-4H3.
What are the key properties of N-(2,2-dimethylpent-3-enyl)methanesulfonamide?
N-(2,2-dimethylpent-3-enyl)methanesulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpent-3-enyl)methanesulfonamide is sourced from PubChem (CID 134568121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).