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

C12H20N2O3S2 — CID 103414857

IUPACN-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CCCCC2CO)s1
InChIInChI=1S/C12H20N2O3S2/c1-9-13-7-12(18-9)19(16,17)14-6-10-4-2-3-5-11(10)8-15/h7,10-11,14-15H,2-6,8H2,1H3
InChIKeyOAUNYTMXCCJJGR-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.53
Rot. Bonds5

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

N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103414857) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103414857
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CCCCC2CO)s1
InChIInChI=1S/C12H20N2O3S2/c1-9-13-7-12(18-9)19(16,17)14-6-10-4-2-3-5-11(10)8-15/h7,10-11,14-15H,2-6,8H2,1H3
InChIKeyOAUNYTMXCCJJGR-UHFFFAOYSA-N
XLogP1.53
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 103414857) is N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC2CCCCC2CO)s1.
What is the InChIKey of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is OAUNYTMXCCJJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-9-13-7-12(18-9)19(16,17)14-6-10-4-2-3-5-11(10)8-15/h7,10-11,14-15H,2-6,8H2,1H3.
What are the key properties of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).