N-tert-butylcyclohexanesulfonamide

C10H21NO2S — CID 63821619

IUPACN-tert-butylcyclohexanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H21NO2S/c1-10(2,3)11-14(12,13)9-7-5-4-6-8-9/h9,11H,4-8H2,1-3H3
InChIKeyXQJVZYMIIXVCNB-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.04
Rot. Bonds2

About N-tert-butylcyclohexanesulfonamide

N-tert-butylcyclohexanesulfonamide (PubChem CID 63821619) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-tert-butylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-tert-butylcyclohexanesulfonamide
PubChem CID63821619
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-tert-butylcyclohexanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H21NO2S/c1-10(2,3)11-14(12,13)9-7-5-4-6-8-9/h9,11H,4-8H2,1-3H3
InChIKeyXQJVZYMIIXVCNB-UHFFFAOYSA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylcyclohexanesulfonamide?
The IUPAC name of N-tert-butylcyclohexanesulfonamide (CID 63821619) is N-tert-butylcyclohexanesulfonamide.
What is the SMILES notation for N-tert-butylcyclohexanesulfonamide?
The canonical SMILES for N-tert-butylcyclohexanesulfonamide is CC(C)(C)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-tert-butylcyclohexanesulfonamide?
The InChIKey is XQJVZYMIIXVCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,3)11-14(12,13)9-7-5-4-6-8-9/h9,11H,4-8H2,1-3H3.
What are the key properties of N-tert-butylcyclohexanesulfonamide?
N-tert-butylcyclohexanesulfonamide has a molecular weight of 219.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylcyclohexanesulfonamide is sourced from PubChem (CID 63821619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).