N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C12H21N3O3S — CID 104953256

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H21N3O3S/c1-8-12(9(2)15(3)13-8)19(17,18)14-10-6-4-5-7-11(10)16/h10-11,14,16H,4-7H2,1-3H3/t10-,11-/m0/s1
InChIKeyJALUSFXLBSVXEE-QWRGUYRKSA-N
MW287.38 g/mol
LogP0.62
Rot. Bonds3

About N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 104953256) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID104953256
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H21N3O3S/c1-8-12(9(2)15(3)13-8)19(17,18)14-10-6-4-5-7-11(10)16/h10-11,14,16H,4-7H2,1-3H3/t10-,11-/m0/s1
InChIKeyJALUSFXLBSVXEE-QWRGUYRKSA-N
XLogP0.62
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-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

N-[2-(dimethylamino)cyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 126826994
N-[2-(hydroxymethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 103835944
1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide
CID 55030816
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzenesulfonamide
CID 104953218
1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide
CID 79684858
N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide
CID 8823100
1,3,5-trimethyl-N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]pyrazole-4-sulfonamide
CID 95331561
N-[(4S)-4-methoxypyrrolidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 43597155
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22204440
N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 76941637
3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358704
3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide
CID 19681996

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 104953256) is N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is JALUSFXLBSVXEE-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8-12(9(2)15(3)13-8)19(17,18)14-10-6-4-5-7-11(10)16/h10-11,14,16H,4-7H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 104953256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).