5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide

C10H18N4O3S — CID 65103400

IUPAC5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C10H18N4O3S/c11-9-8(6-12-14-9)18(16,17)13-7-10(15)4-2-1-3-5-10/h6,13,15H,1-5,7H2,(H3,11,12,14)
InChIKeyVMNZIIHIHFITBT-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.03
Rot. Bonds4

About 5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 65103400) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID65103400
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C10H18N4O3S/c11-9-8(6-12-14-9)18(16,17)13-7-10(15)4-2-1-3-5-10/h6,13,15H,1-5,7H2,(H3,11,12,14)
InChIKeyVMNZIIHIHFITBT-UHFFFAOYSA-N
XLogP-0.03
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
CID 103965259
5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide
CID 115454062
5-[(1-hydroxycyclopentyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 65105351
2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123084
6-amino-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65102882
4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65102885
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65121358
5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80584899
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65121845
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 103970083
2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122738
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide (CID 65103400) is 5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCC1(O)CCCCC1.
What is the InChIKey of 5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VMNZIIHIHFITBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c11-9-8(6-12-14-9)18(16,17)13-7-10(15)4-2-1-3-5-10/h6,13,15H,1-5,7H2,(H3,11,12,14).
What are the key properties of 5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 65103400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).