N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide

C12H21N3O4S — CID 110125536

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCO[C@@H]1CCC[C@@H](NS(=O)(=O)c2cn(C)nc2C)[C@H]1O
InChIInChI=1S/C12H21N3O4S/c1-8-11(7-15(2)13-8)20(17,18)14-9-5-4-6-10(19-3)12(9)16/h7,9-10,12,14,16H,4-6H2,1-3H3/t9-,10-,12-/m1/s1
InChIKeyFHDHROBVVSFJIH-CKYFFXLPSA-N
MW303.38 g/mol
LogP-0.06
Rot. Bonds4

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 110125536) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID110125536
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCO[C@@H]1CCC[C@@H](NS(=O)(=O)c2cn(C)nc2C)[C@H]1O
InChIInChI=1S/C12H21N3O4S/c1-8-11(7-15(2)13-8)20(17,18)14-9-5-4-6-10(19-3)12(9)16/h7,9-10,12,14,16H,4-6H2,1-3H3/t9-,10-,12-/m1/s1
InChIKeyFHDHROBVVSFJIH-CKYFFXLPSA-N
XLogP-0.06
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110125511
N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 110127246
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-methoxybenzenesulfonamide
CID 110125489
1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide
CID 19582950
3-amino-1-ethyl-N-(2-methoxycyclopentyl)pyrazole-4-sulfonamide
CID 62087291
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]-1-methylimidazole-4-sulfonamide
CID 110125730
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 138021151
1,3-dimethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide
CID 19683372
3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
CID 110125695
4-[(2-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805249
3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine
CID 103078379
N-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62088808

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 110125536) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide is CO[C@@H]1CCC[C@@H](NS(=O)(=O)c2cn(C)nc2C)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is FHDHROBVVSFJIH-CKYFFXLPSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-8-11(7-15(2)13-8)20(17,18)14-9-5-4-6-10(19-3)12(9)16/h7,9-10,12,14,16H,4-6H2,1-3H3/t9-,10-,12-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 303.38 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 110125536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).