4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H20N2O3S2 — CID 63244688

IUPAC4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC1CCC(C)CC1
InChIInChI=1S/C12H20N2O3S2/c1-8-3-5-10(6-4-8)7-13-19(16,17)11-9(2)14-12(15)18-11/h8,10,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyVRUBDLVZSJHZQR-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.85
Rot. Bonds4

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

4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 63244688) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID63244688
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC1CCC(C)CC1
InChIInChI=1S/C12H20N2O3S2/c1-8-3-5-10(6-4-8)7-13-19(16,17)11-9(2)14-12(15)18-11/h8,10,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyVRUBDLVZSJHZQR-UHFFFAOYSA-N
XLogP1.85
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 63244688) is 4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCC1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is VRUBDLVZSJHZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-8-3-5-10(6-4-8)7-13-19(16,17)11-9(2)14-12(15)18-11/h8,10,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63244688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).