N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide

C10H17N3O3S — CID 103854209

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide
SMILESCC(NS(=O)(=O)C1CCOCC1)c1cn[nH]c1
InChIInChI=1S/C10H17N3O3S/c1-8(9-6-11-12-7-9)13-17(14,15)10-2-4-16-5-3-10/h6-8,10,13H,2-5H2,1H3,(H,11,12)
InChIKeyCIVRGGHWWDHNCB-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.57
Rot. Bonds4

About N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide

N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide (PubChem CID 103854209) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide
PubChem CID103854209
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide
SMILESCC(NS(=O)(=O)C1CCOCC1)c1cn[nH]c1
InChIInChI=1S/C10H17N3O3S/c1-8(9-6-11-12-7-9)13-17(14,15)10-2-4-16-5-3-10/h6-8,10,13H,2-5H2,1H3,(H,11,12)
InChIKeyCIVRGGHWWDHNCB-UHFFFAOYSA-N
XLogP0.57
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 103854849
2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide
CID 103854198
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106217693
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218544
N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide
CID 62669156
4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218488
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 103854160
1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
CID 106218352
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 106212734
3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one
CID 130619915
4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide
CID 64555165

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide (CID 103854209) is N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide is CC(NS(=O)(=O)C1CCOCC1)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide?
The InChIKey is CIVRGGHWWDHNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-8(9-6-11-12-7-9)13-17(14,15)10-2-4-16-5-3-10/h6-8,10,13H,2-5H2,1H3,(H,11,12).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide?
N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide is sourced from PubChem (CID 103854209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).