N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide

C11H20N4O2S — CID 102690413

IUPACN-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide
SMILESNCC(NS(=O)(=O)c1ccn[nH]1)C1CCCCC1
InChIInChI=1S/C11H20N4O2S/c12-8-10(9-4-2-1-3-5-9)15-18(16,17)11-6-7-13-14-11/h6-7,9-10,15H,1-5,8,12H2,(H,13,14)
InChIKeyQOIVILXCUHBXLR-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.60
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide

N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102690413) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102690413
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide
SMILESNCC(NS(=O)(=O)c1ccn[nH]1)C1CCCCC1
InChIInChI=1S/C11H20N4O2S/c12-8-10(9-4-2-1-3-5-9)15-18(16,17)11-6-7-13-14-11/h6-7,9-10,15H,1-5,8,12H2,(H,13,14)
InChIKeyQOIVILXCUHBXLR-UHFFFAOYSA-N
XLogP0.60
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-1H-pyrazole-5-sulfonamide
CID 102691484
N-cycloheptyl-1H-pyrazole-5-sulfonamide
CID 102691549
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
CID 102691651
N-(2-amino-1-cyclohexylethyl)methanesulfonamide
CID 61122382
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 106737632
N-(2-amino-1-cyclopentylethyl)-3-fluoropyridine-2-sulfonamide
CID 106737928
N-(2-amino-1-cyclopentylethyl)quinoline-8-sulfonamide;hydrochloride
CID 120584995
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326
N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691140

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide (CID 102690413) is N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide is NCC(NS(=O)(=O)c1ccn[nH]1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is QOIVILXCUHBXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c12-8-10(9-4-2-1-3-5-9)15-18(16,17)11-6-7-13-14-11/h6-7,9-10,15H,1-5,8,12H2,(H,13,14).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide?
N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102690413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).