N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide

C11H16N2O3S2 — CID 62999802

IUPACN-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)C2CCCCC2)n1
InChIInChI=1S/C11H16N2O3S2/c1-8(14)10-7-17-11(12-10)13-18(15,16)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13)
InChIKeyFDWSXNIGERHJJO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.42
Rot. Bonds4

About N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide

N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide (PubChem CID 62999802) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide
PubChem CID62999802
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)C2CCCCC2)n1
InChIInChI=1S/C11H16N2O3S2/c1-8(14)10-7-17-11(12-10)13-18(15,16)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13)
InChIKeyFDWSXNIGERHJJO-UHFFFAOYSA-N
XLogP2.42
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide (CID 62999802) is N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide is CC(=O)c1csc(NS(=O)(=O)C2CCCCC2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide?
The InChIKey is FDWSXNIGERHJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-8(14)10-7-17-11(12-10)13-18(15,16)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide?
N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide is sourced from PubChem (CID 62999802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).