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

C12H20N2O3S2 — CID 103414846

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC2(CO)CCCC(C)C2)s1
InChIInChI=1S/C12H20N2O3S2/c1-9-4-3-5-12(6-9,8-15)14-19(16,17)11-7-13-10(2)18-11/h7,9,14-15H,3-6,8H2,1-2H3
InChIKeyNAZZYKWBSHUELV-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.67
Rot. Bonds4

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

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103414846) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103414846
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC2(CO)CCCC(C)C2)s1
InChIInChI=1S/C12H20N2O3S2/c1-9-4-3-5-12(6-9,8-15)14-19(16,17)11-7-13-10(2)18-11/h7,9,14-15H,3-6,8H2,1-2H3
InChIKeyNAZZYKWBSHUELV-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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Related Compounds

2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3-thiazole-5-sulfonamide
CID 55082064
2-chloro-N-[1-(hydroxymethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
CID 55086514
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1,3-thiazole-5-sulfonamide
CID 62553030
2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-thiazole-5-sulfonamide
CID 62553557
2-chloro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-1,3-thiazole-5-sulfonamide
CID 65902877
3-Methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 103414164
N-[1-(hydroxymethyl)cyclopentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414840
N-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414842
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414844
N-(1-hydroxy-2-methylbutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414851
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414853
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414854

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 103414846) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NC2(CO)CCCC(C)C2)s1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is NAZZYKWBSHUELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-9-4-3-5-12(6-9,8-15)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-(hydroxymethyl)-3-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-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-(hydroxymethyl)-3-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).