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

C11H18N2O3S2 — CID 103414842

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC2(CO)CCCCC2)s1
InChIInChI=1S/C11H18N2O3S2/c1-9-12-7-10(17-9)18(15,16)13-11(8-14)5-3-2-4-6-11/h7,13-14H,2-6,8H2,1H3
InChIKeyCGAZMBGPUWPJQF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.43
Rot. Bonds4

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

N-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103414842) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103414842
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC2(CO)CCCCC2)s1
InChIInChI=1S/C11H18N2O3S2/c1-9-12-7-10(17-9)18(15,16)13-11(8-14)5-3-2-4-6-11/h7,13-14H,2-6,8H2,1H3
InChIKeyCGAZMBGPUWPJQF-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Hydroxyhexyl)-1,3-thiazole-5-sulfonamide
CID 67807083
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-[3-(hydroxymethyl)pentan-3-yl]-1,3-thiazole-5-sulfonamide
CID 62519962
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-[[2-(hydroxymethyl)cyclohexyl]methyl]-1,3-thiazole-5-sulfonamide
CID 65902877
N-[(3-hydroxycyclopentyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103270180
2-[1-[(2-Methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexyl]acetic acid
CID 103414274
1-[(2-Methyl-1,3-thiazol-5-yl)sulfonylamino]cyclohexane-1-carbothioamide
CID 103414623
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414824

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 103414842) is N-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NC2(CO)CCCCC2)s1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is CGAZMBGPUWPJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-9-12-7-10(17-9)18(15,16)13-11(8-14)5-3-2-4-6-11/h7,13-14H,2-6,8H2,1H3.
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).