N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide

C9H15NO2S — CID 23528931

IUPACN-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide
SMILESC=C1CC=CCC1CNS(C)(=O)=O
InChIInChI=1S/C9H15NO2S/c1-8-5-3-4-6-9(8)7-10-13(2,11)12/h3-4,9-10H,1,5-7H2,2H3
InChIKeyZQWTXVAEVNCURR-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.06
Rot. Bonds3

About N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide

N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide (PubChem CID 23528931) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide
PubChem CID23528931
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC NameN-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide
SMILESC=C1CC=CCC1CNS(C)(=O)=O
InChIInChI=1S/C9H15NO2S/c1-8-5-3-4-6-9(8)7-10-13(2,11)12/h3-4,9-10H,1,5-7H2,2H3
InChIKeyZQWTXVAEVNCURR-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.06
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-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide (CID 23528931) is N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide is C=C1CC=CCC1CNS(C)(=O)=O.
What is the InChIKey of N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide?
The InChIKey is ZQWTXVAEVNCURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-8-5-3-4-6-9(8)7-10-13(2,11)12/h3-4,9-10H,1,5-7H2,2H3.
What are the key properties of N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide?
N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide has a molecular weight of 201.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide is sourced from PubChem (CID 23528931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).