4-tert-butylcycloheptane-1-sulfonamide

C11H23NO2S — CID 65094526

IUPAC4-tert-butylcycloheptane-1-sulfonamide
SMILESCC(C)(C)C1CCCC(S(N)(=O)=O)CC1
InChIInChI=1S/C11H23NO2S/c1-11(2,3)9-5-4-6-10(8-7-9)15(12,13)14/h9-10H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyPIVXYKZLLYPJRV-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.27
Rot. Bonds1

About 4-tert-butylcycloheptane-1-sulfonamide

4-tert-butylcycloheptane-1-sulfonamide (PubChem CID 65094526) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-tert-butylcycloheptane-1-sulfonamide.

Molecular Properties

Compound Name4-tert-butylcycloheptane-1-sulfonamide
PubChem CID65094526
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-tert-butylcycloheptane-1-sulfonamide
SMILESCC(C)(C)C1CCCC(S(N)(=O)=O)CC1
InChIInChI=1S/C11H23NO2S/c1-11(2,3)9-5-4-6-10(8-7-9)15(12,13)14/h9-10H,4-8H2,1-3H3,(H2,12,13,14)
InChIKeyPIVXYKZLLYPJRV-UHFFFAOYSA-N
XLogP2.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylcycloheptane-1-sulfonamide?
The IUPAC name of 4-tert-butylcycloheptane-1-sulfonamide (CID 65094526) is 4-tert-butylcycloheptane-1-sulfonamide.
What is the SMILES notation for 4-tert-butylcycloheptane-1-sulfonamide?
The canonical SMILES for 4-tert-butylcycloheptane-1-sulfonamide is CC(C)(C)C1CCCC(S(N)(=O)=O)CC1.
What is the InChIKey of 4-tert-butylcycloheptane-1-sulfonamide?
The InChIKey is PIVXYKZLLYPJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-11(2,3)9-5-4-6-10(8-7-9)15(12,13)14/h9-10H,4-8H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-tert-butylcycloheptane-1-sulfonamide?
4-tert-butylcycloheptane-1-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylcycloheptane-1-sulfonamide is sourced from PubChem (CID 65094526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).