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

C12H20N2O3S2 — CID 103414853

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2(O)CCC(C)CC2)s1
InChIInChI=1S/C12H20N2O3S2/c1-9-3-5-12(15,6-4-9)8-14-19(16,17)11-7-13-10(2)18-11/h7,9,14-15H,3-6,8H2,1-2H3
InChIKeyZDCSAIQZEXGTAE-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.67
Rot. Bonds4

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

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103414853) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103414853
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2(O)CCC(C)CC2)s1
InChIInChI=1S/C12H20N2O3S2/c1-9-3-5-12(15,6-4-9)8-14-19(16,17)11-7-13-10(2)18-11/h7,9,14-15H,3-6,8H2,1-2H3
InChIKeyZDCSAIQZEXGTAE-UHFFFAOYSA-N
XLogP1.67
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 103414853) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC2(O)CCC(C)CC2)s1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is ZDCSAIQZEXGTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-9-3-5-12(15,6-4-9)8-14-19(16,17)11-7-13-10(2)18-11/h7,9,14-15H,3-6,8H2,1-2H3.
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).