N-(3-methylidenecyclohexyl)propane-2-sulfonamide

C10H19NO2S — CID 90710783

IUPACN-(3-methylidenecyclohexyl)propane-2-sulfonamide
SMILESC=C1CCCC(NS(=O)(=O)C(C)C)C1
InChIInChI=1S/C10H19NO2S/c1-8(2)14(12,13)11-10-6-4-5-9(3)7-10/h8,10-11H,3-7H2,1-2H3
InChIKeyZSHPKTRCYPGKJB-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.81
Rot. Bonds3

About N-(3-methylidenecyclohexyl)propane-2-sulfonamide

N-(3-methylidenecyclohexyl)propane-2-sulfonamide (PubChem CID 90710783) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(3-methylidenecyclohexyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methylidenecyclohexyl)propane-2-sulfonamide
PubChem CID90710783
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(3-methylidenecyclohexyl)propane-2-sulfonamide
SMILESC=C1CCCC(NS(=O)(=O)C(C)C)C1
InChIInChI=1S/C10H19NO2S/c1-8(2)14(12,13)11-10-6-4-5-9(3)7-10/h8,10-11H,3-7H2,1-2H3
InChIKeyZSHPKTRCYPGKJB-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.81
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-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide
CID 91004606
2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide
CID 91027303
N-(5-methylhex-5-enyl)methanesulfonamide
CID 23563453
N-(4-ethylidenecyclohexyl)methanesulfonamide
CID 71122467
N-(4-methylidenecyclohexyl)propane-2-sulfinamide
CID 89215029
7-(Methylsulfonylmethyl)oct-7-en-3-amine
CID 89357472
N-(3-methylidenecyclohexyl)ethanesulfonamide
CID 90805781
N-(2-methylidenecyclohexyl)methanesulfonamide
CID 91087839
N-(4-methylidenecyclohexyl)methanesulfonamide
CID 91298182
N-butyl-4-methylidenecyclohexane-1-sulfonamide
CID 91371408
N-(3-methylidenecyclohexyl)methanesulfonamide
CID 91471248
N-ethyl-3-methylidenecyclohexane-1-sulfonamide
CID 91571228

Frequently Asked Questions

What is the IUPAC name of N-(3-methylidenecyclohexyl)propane-2-sulfonamide?
The IUPAC name of N-(3-methylidenecyclohexyl)propane-2-sulfonamide (CID 90710783) is N-(3-methylidenecyclohexyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-methylidenecyclohexyl)propane-2-sulfonamide?
The canonical SMILES for N-(3-methylidenecyclohexyl)propane-2-sulfonamide is C=C1CCCC(NS(=O)(=O)C(C)C)C1.
What is the InChIKey of N-(3-methylidenecyclohexyl)propane-2-sulfonamide?
The InChIKey is ZSHPKTRCYPGKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(2)14(12,13)11-10-6-4-5-9(3)7-10/h8,10-11H,3-7H2,1-2H3.
What are the key properties of N-(3-methylidenecyclohexyl)propane-2-sulfonamide?
N-(3-methylidenecyclohexyl)propane-2-sulfonamide has a molecular weight of 217.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylidenecyclohexyl)propane-2-sulfonamide is sourced from PubChem (CID 90710783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).