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

C11H18N2O3S2 — CID 113337757

IUPACN-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CCCCC2O)s1
InChIInChI=1S/C11H18N2O3S2/c1-8-12-7-11(17-8)18(15,16)13-6-9-4-2-3-5-10(9)14/h7,9-10,13-14H,2-6H2,1H3
InChIKeyYXXUEUSHZLFNKQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.28
Rot. Bonds4

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

N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 113337757) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID113337757
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2CCCCC2O)s1
InChIInChI=1S/C11H18N2O3S2/c1-8-12-7-11(17-8)18(15,16)13-6-9-4-2-3-5-10(9)14/h7,9-10,13-14H,2-6H2,1H3
InChIKeyYXXUEUSHZLFNKQ-UHFFFAOYSA-N
XLogP1.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-hydroxycyclohexyl)methyl]-1,3-thiazole-5-sulfonamide
CID 64911997
2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide
CID 65119726
2-chloro-N-[(2-hydroxycyclopentyl)methyl]-1,3-thiazole-5-sulfonamide
CID 65838865
2-chloro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-1,3-thiazole-5-sulfonamide
CID 65902877
N-[(3-hydroxycyclopentyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103270180
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-(hydroxymethyl)-3-methylcyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414846

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 113337757) is N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC2CCCCC2O)s1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is YXXUEUSHZLFNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-8-12-7-11(17-8)18(15,16)13-6-9-4-2-3-5-10(9)14/h7,9-10,13-14H,2-6H2,1H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 113337757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).