N-methyl-4-methylidenecyclohexane-1-sulfonamide

C8H15NO2S — CID 90792144

IUPACN-methyl-4-methylidenecyclohexane-1-sulfonamide
SMILESC=C1CCC(S(=O)(=O)NC)CC1
InChIInChI=1S/C8H15NO2S/c1-7-3-5-8(6-4-7)12(10,11)9-2/h8-9H,1,3-6H2,2H3
InChIKeyNSMCGGHVQIIRJM-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.03
Rot. Bonds2

About N-methyl-4-methylidenecyclohexane-1-sulfonamide

N-methyl-4-methylidenecyclohexane-1-sulfonamide (PubChem CID 90792144) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-methyl-4-methylidenecyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-methylidenecyclohexane-1-sulfonamide
PubChem CID90792144
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-methyl-4-methylidenecyclohexane-1-sulfonamide
SMILESC=C1CCC(S(=O)(=O)NC)CC1
InChIInChI=1S/C8H15NO2S/c1-7-3-5-8(6-4-7)12(10,11)9-2/h8-9H,1,3-6H2,2H3
InChIKeyNSMCGGHVQIIRJM-UHFFFAOYSA-N
XLogP1.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.03
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-methyl-4-methylidenecyclohexane-1-sulfonamide?
The IUPAC name of N-methyl-4-methylidenecyclohexane-1-sulfonamide (CID 90792144) is N-methyl-4-methylidenecyclohexane-1-sulfonamide.
What is the SMILES notation for N-methyl-4-methylidenecyclohexane-1-sulfonamide?
The canonical SMILES for N-methyl-4-methylidenecyclohexane-1-sulfonamide is C=C1CCC(S(=O)(=O)NC)CC1.
What is the InChIKey of N-methyl-4-methylidenecyclohexane-1-sulfonamide?
The InChIKey is NSMCGGHVQIIRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-7-3-5-8(6-4-7)12(10,11)9-2/h8-9H,1,3-6H2,2H3.
What are the key properties of N-methyl-4-methylidenecyclohexane-1-sulfonamide?
N-methyl-4-methylidenecyclohexane-1-sulfonamide has a molecular weight of 189.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylidenecyclohexane-1-sulfonamide is sourced from PubChem (CID 90792144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).