N-(2,2-dimethylhex-5-enyl)methanesulfonamide

C9H19NO2S — CID 125475314

IUPACN-(2,2-dimethylhex-5-enyl)methanesulfonamide
SMILESC=CCCC(C)(C)CNS(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-5-6-7-9(2,3)8-10-13(4,11)12/h5,10H,1,6-8H2,2-4H3
InChIKeyMUNFECJBVXCJGI-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.53
Rot. Bonds6

About N-(2,2-dimethylhex-5-enyl)methanesulfonamide

N-(2,2-dimethylhex-5-enyl)methanesulfonamide (PubChem CID 125475314) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(2,2-dimethylhex-5-enyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylhex-5-enyl)methanesulfonamide
PubChem CID125475314
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(2,2-dimethylhex-5-enyl)methanesulfonamide
SMILESC=CCCC(C)(C)CNS(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-5-6-7-9(2,3)8-10-13(4,11)12/h5,10H,1,6-8H2,2-4H3
InChIKeyMUNFECJBVXCJGI-UHFFFAOYSA-N
XLogP1.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2,2-dimethylhex-5-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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylhex-5-enyl)methanesulfonamide?
The IUPAC name of N-(2,2-dimethylhex-5-enyl)methanesulfonamide (CID 125475314) is N-(2,2-dimethylhex-5-enyl)methanesulfonamide.
What is the SMILES notation for N-(2,2-dimethylhex-5-enyl)methanesulfonamide?
The canonical SMILES for N-(2,2-dimethylhex-5-enyl)methanesulfonamide is C=CCCC(C)(C)CNS(C)(=O)=O.
What is the InChIKey of N-(2,2-dimethylhex-5-enyl)methanesulfonamide?
The InChIKey is MUNFECJBVXCJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-6-7-9(2,3)8-10-13(4,11)12/h5,10H,1,6-8H2,2-4H3.
What are the key properties of N-(2,2-dimethylhex-5-enyl)methanesulfonamide?
N-(2,2-dimethylhex-5-enyl)methanesulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylhex-5-enyl)methanesulfonamide is sourced from PubChem (CID 125475314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).