N-tert-butyl-4-methylidenecyclohexane-1-sulfonamide

C11H21NO2S — CID 123816138

IUPACN-tert-butyl-4-methylidenecyclohexane-1-sulfonamide
SMILESC=C1CCC(S(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C11H21NO2S/c1-9-5-7-10(8-6-9)15(13,14)12-11(2,3)4/h10,12H,1,5-8H2,2-4H3
InChIKeyZFLIHPUHKJJKON-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.20
Rot. Bonds2

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

N-tert-butyl-4-methylidenecyclohexane-1-sulfonamide (PubChem CID 123816138) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-tert-butyl-4-methylidenecyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-methylidenecyclohexane-1-sulfonamide
PubChem CID123816138
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-tert-butyl-4-methylidenecyclohexane-1-sulfonamide
SMILESC=C1CCC(S(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C11H21NO2S/c1-9-5-7-10(8-6-9)15(13,14)12-11(2,3)4/h10,12H,1,5-8H2,2-4H3
InChIKeyZFLIHPUHKJJKON-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methylidenecyclohexane-1-sulfonamide?
The IUPAC name of N-tert-butyl-4-methylidenecyclohexane-1-sulfonamide (CID 123816138) is N-tert-butyl-4-methylidenecyclohexane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-4-methylidenecyclohexane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-4-methylidenecyclohexane-1-sulfonamide is C=C1CCC(S(=O)(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-methylidenecyclohexane-1-sulfonamide?
The InChIKey is ZFLIHPUHKJJKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-9-5-7-10(8-6-9)15(13,14)12-11(2,3)4/h10,12H,1,5-8H2,2-4H3.
What are the key properties of N-tert-butyl-4-methylidenecyclohexane-1-sulfonamide?
N-tert-butyl-4-methylidenecyclohexane-1-sulfonamide has a molecular weight of 231.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylidenecyclohexane-1-sulfonamide is sourced from PubChem (CID 123816138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).