1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide

C13H23N3O3S2 — CID 106001861

IUPAC1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2cnn(CCO)c2)CCCCC1
InChIInChI=1S/C13H23N3O3S2/c1-20-13(5-3-2-4-6-13)11-15-21(18,19)12-9-14-16(10-12)7-8-17/h9-10,15,17H,2-8,11H2,1H3
InChIKeyCBXSWUOMSYYTKN-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.22
Rot. Bonds7

About 1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide

1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide (PubChem CID 106001861) has the molecular formula C13H23N3O3S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide
PubChem CID106001861
Molecular FormulaC13H23N3O3S2
Molecular Weight333.48 g/mol
Exact Mass333.12
IUPAC Name1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2cnn(CCO)c2)CCCCC1
InChIInChI=1S/C13H23N3O3S2/c1-20-13(5-3-2-4-6-13)11-15-21(18,19)12-9-14-16(10-12)7-8-17/h9-10,15,17H,2-8,11H2,1H3
InChIKeyCBXSWUOMSYYTKN-UHFFFAOYSA-N
XLogP1.22
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide
CID 106002272
1-[2-(ethylamino)ethyl]-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazole-4-sulfonamide
CID 106090606
1-(2-hydroxyethyl)-N-(2-methyl-2-methylsulfanylpropyl)pyrazole-4-sulfonamide
CID 114135493
1-(2-hydroxyethyl)-N-(2-methylsulfanylpropyl)pyrazole-4-sulfonamide
CID 114135391
1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide
CID 79357659
1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106000807
1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106090538
N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 122564480
1-(2-hydroxyethyl)-N-(3-methylpentan-3-yl)pyrazole-4-sulfonamide
CID 106331651
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 71894825
4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 114116819
N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114551690

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide (CID 106001861) is 1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide is CSC1(CNS(=O)(=O)c2cnn(CCO)c2)CCCCC1.
What is the InChIKey of 1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is CBXSWUOMSYYTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S2/c1-20-13(5-3-2-4-6-13)11-15-21(18,19)12-9-14-16(10-12)7-8-17/h9-10,15,17H,2-8,11H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide?
1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 333.48 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106001861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).