N-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H20N2O3S2 — CID 54884374

IUPACN-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCC1CCCCC1
InChIInChI=1S/C12H20N2O3S2/c1-9-11(18-12(15)14-9)19(16,17)13-8-7-10-5-3-2-4-6-10/h10,13H,2-8H2,1H3,(H,14,15)
InChIKeySQPRTCAZIPFHJO-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.99
Rot. Bonds5

About N-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 54884374) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID54884374
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCC1CCCCC1
InChIInChI=1S/C12H20N2O3S2/c1-9-11(18-12(15)14-9)19(16,17)13-8-7-10-5-3-2-4-6-10/h10,13H,2-8H2,1H3,(H,14,15)
InChIKeySQPRTCAZIPFHJO-UHFFFAOYSA-N
XLogP1.99
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 54884374) is N-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is SQPRTCAZIPFHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-9-11(18-12(15)14-9)19(16,17)13-8-7-10-5-3-2-4-6-10/h10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of N-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54884374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).