N-butyl-4-methylidenecyclohexane-1-sulfonamide

C11H21NO2S — CID 91371408

IUPACN-butyl-4-methylidenecyclohexane-1-sulfonamide
SMILESC=C1CCC(S(=O)(=O)NCCCC)CC1
InChIInChI=1S/C11H21NO2S/c1-3-4-9-12-15(13,14)11-7-5-10(2)6-8-11/h11-12H,2-9H2,1H3
InChIKeyCWLIAFBDZURFMW-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.20
Rot. Bonds5

About N-butyl-4-methylidenecyclohexane-1-sulfonamide

N-butyl-4-methylidenecyclohexane-1-sulfonamide (PubChem CID 91371408) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-butyl-4-methylidenecyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-4-methylidenecyclohexane-1-sulfonamide
PubChem CID91371408
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-butyl-4-methylidenecyclohexane-1-sulfonamide
SMILESC=C1CCC(S(=O)(=O)NCCCC)CC1
InChIInChI=1S/C11H21NO2S/c1-3-4-9-12-15(13,14)11-7-5-10(2)6-8-11/h11-12H,2-9H2,1H3
InChIKeyCWLIAFBDZURFMW-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylhex-5-enyl)methanesulfonamide
CID 23563453
N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide
CID 61361231
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-(4-methylidenecyclohexyl)methanesulfonamide
CID 91298182
N-(2-methoxyethyl)-3-methylidenecyclohexane-1-sulfonamide
CID 91371724
N-(3-methylidenecyclohexyl)methanesulfonamide
CID 91471248
N-ethyl-3-methylidenecyclohexane-1-sulfonamide
CID 91571228
N-(4-methylidenecyclohexyl)cyclopropanesulfonamide
CID 123551174
N-(2-methylidenecyclohexyl)cyclopropanesulfonamide
CID 123645020

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methylidenecyclohexane-1-sulfonamide?
The IUPAC name of N-butyl-4-methylidenecyclohexane-1-sulfonamide (CID 91371408) is N-butyl-4-methylidenecyclohexane-1-sulfonamide.
What is the SMILES notation for N-butyl-4-methylidenecyclohexane-1-sulfonamide?
The canonical SMILES for N-butyl-4-methylidenecyclohexane-1-sulfonamide is C=C1CCC(S(=O)(=O)NCCCC)CC1.
What is the InChIKey of N-butyl-4-methylidenecyclohexane-1-sulfonamide?
The InChIKey is CWLIAFBDZURFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-3-4-9-12-15(13,14)11-7-5-10(2)6-8-11/h11-12H,2-9H2,1H3.
What are the key properties of N-butyl-4-methylidenecyclohexane-1-sulfonamide?
N-butyl-4-methylidenecyclohexane-1-sulfonamide has a molecular weight of 231.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methylidenecyclohexane-1-sulfonamide is sourced from PubChem (CID 91371408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).