N-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide

C10H21NO2S — CID 88991754

IUPACN-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide
SMILESCN(CC/C=C\C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-10(2,3)8-6-7-9-11(4)14(5,12)13/h6,8H,7,9H2,1-5H3/b8-6-
InChIKeyGSWZMNWPWXYKCK-VURMDHGXSA-N
MW219.35 g/mol
LogP1.87
Rot. Bonds4

About N-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide

N-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide (PubChem CID 88991754) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide
PubChem CID88991754
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide
SMILESCN(CC/C=C\C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-10(2,3)8-6-7-9-11(4)14(5,12)13/h6,8H,7,9H2,1-5H3/b8-6-
InChIKeyGSWZMNWPWXYKCK-VURMDHGXSA-N
XLogP1.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide 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-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide (CID 88991754) is N-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide is CN(CC/C=C\C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide?
The InChIKey is GSWZMNWPWXYKCK-VURMDHGXSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,3)8-6-7-9-11(4)14(5,12)13/h6,8H,7,9H2,1-5H3/b8-6-.
What are the key properties of N-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide?
N-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide has a molecular weight of 219.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5,5-dimethylhex-3-enyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 88991754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).