N-ethyl-3-methylidenecyclohexane-1-sulfonamide

C9H17NO2S — CID 91571228

IUPACN-ethyl-3-methylidenecyclohexane-1-sulfonamide
SMILESC=C1CCCC(S(=O)(=O)NCC)C1
InChIInChI=1S/C9H17NO2S/c1-3-10-13(11,12)9-6-4-5-8(2)7-9/h9-10H,2-7H2,1H3
InChIKeyAJSLNEKDKXRLGP-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.42
Rot. Bonds3

About N-ethyl-3-methylidenecyclohexane-1-sulfonamide

N-ethyl-3-methylidenecyclohexane-1-sulfonamide (PubChem CID 91571228) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-ethyl-3-methylidenecyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-methylidenecyclohexane-1-sulfonamide
PubChem CID91571228
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-ethyl-3-methylidenecyclohexane-1-sulfonamide
SMILESC=C1CCCC(S(=O)(=O)NCC)C1
InChIInChI=1S/C9H17NO2S/c1-3-10-13(11,12)9-6-4-5-8(2)7-9/h9-10H,2-7H2,1H3
InChIKeyAJSLNEKDKXRLGP-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylhex-5-enyl)methanesulfonamide
CID 23563453
N-(4-methylidenecyclohexyl)propane-2-sulfinamide
CID 89215029
N-(3-methylidenecyclohexyl)propane-2-sulfonamide
CID 90710783
N-methyl-4-methylidenecyclohexane-1-sulfonamide
CID 90792144
N-(3-methylidenecyclohexyl)ethanesulfonamide
CID 90805781
N-butyl-4-methylidenecyclohexane-1-sulfonamide
CID 91371408
N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide
CID 91371724
N-(4-methylidenecyclohexyl)cyclopropanesulfonamide
CID 123551174
N-(3-methylidenecyclohexyl)cyclopropanesulfonamide
CID 123729441
N-tert-butyl-4-methylidenecyclohexane-1-sulfonamide
CID 123816138
N-tert-butyl-3-methylidenecyclohexane-1-sulfonamide
CID 123855924
N-methyl-3-methylidenecyclohexane-1-sulfonamide
CID 124023206

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylidenecyclohexane-1-sulfonamide?
The IUPAC name of N-ethyl-3-methylidenecyclohexane-1-sulfonamide (CID 91571228) is N-ethyl-3-methylidenecyclohexane-1-sulfonamide.
What is the SMILES notation for N-ethyl-3-methylidenecyclohexane-1-sulfonamide?
The canonical SMILES for N-ethyl-3-methylidenecyclohexane-1-sulfonamide is C=C1CCCC(S(=O)(=O)NCC)C1.
What is the InChIKey of N-ethyl-3-methylidenecyclohexane-1-sulfonamide?
The InChIKey is AJSLNEKDKXRLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-10-13(11,12)9-6-4-5-8(2)7-9/h9-10H,2-7H2,1H3.
What are the key properties of N-ethyl-3-methylidenecyclohexane-1-sulfonamide?
N-ethyl-3-methylidenecyclohexane-1-sulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylidenecyclohexane-1-sulfonamide is sourced from PubChem (CID 91571228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).