N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide

C11H22N4O2S — CID 120712481

IUPACN-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccnn1CC
InChIInChI=1S/C11H22N4O2S/c1-3-5-6-10(9-12)14-18(16,17)11-7-8-13-15(11)4-2/h7-8,10,14H,3-6,9,12H2,1-2H3
InChIKeyCIHRUDUMRBKKJK-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.70
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide

N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide (PubChem CID 120712481) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide
PubChem CID120712481
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccnn1CC
InChIInChI=1S/C11H22N4O2S/c1-3-5-6-10(9-12)14-18(16,17)11-7-8-13-15(11)4-2/h7-8,10,14H,3-6,9,12H2,1-2H3
InChIKeyCIHRUDUMRBKKJK-UHFFFAOYSA-N
XLogP0.70
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide
CID 120713079
N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104709300
2-ethyl-N-methylpyrazole-3-sulfonamide
CID 130637633
N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide
CID 97225499
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
1-amino-2-(sulfamoylamino)hexane
CID 114959420
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120708509
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide
CID 97225498
N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
N-(2-amino-2-methylpropyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120711476

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide (CID 120712481) is N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide is CCCCC(CN)NS(=O)(=O)c1ccnn1CC.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide?
The InChIKey is CIHRUDUMRBKKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-3-5-6-10(9-12)14-18(16,17)11-7-8-13-15(11)4-2/h7-8,10,14H,3-6,9,12H2,1-2H3.
What are the key properties of N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide?
N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide is sourced from PubChem (CID 120712481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).