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

C11H20N4O3S — CID 103965259

IUPAC5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C11H20N4O3S/c12-10-9(6-13-15-10)19(17,18)14-7-11(8-16)4-2-1-3-5-11/h6,14,16H,1-5,7-8H2,(H3,12,13,15)
InChIKeyQQLPPQSMLYVFFA-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.21
Rot. Bonds5

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

5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 103965259) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID103965259
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C11H20N4O3S/c12-10-9(6-13-15-10)19(17,18)14-7-11(8-16)4-2-1-3-5-11/h6,14,16H,1-5,7-8H2,(H3,12,13,15)
InChIKeyQQLPPQSMLYVFFA-UHFFFAOYSA-N
XLogP0.21
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide
CID 115454062
5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
CID 65103400
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 103970083
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 103965250
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115357869
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-imidazole-5-sulfonamide
CID 115361933
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide
CID 113359537
5-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 115454212
2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115357865
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 112551405
5-amino-4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 114625986
2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide
CID 115755597

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide (CID 103965259) is 5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCC1(CO)CCCCC1.
What is the InChIKey of 5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is QQLPPQSMLYVFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c12-10-9(6-13-15-10)19(17,18)14-7-11(8-16)4-2-1-3-5-11/h6,14,16H,1-5,7-8H2,(H3,12,13,15).
What are the key properties of 5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 103965259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).