N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide

C9H15N3O3S — CID 102692335

IUPACN-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCCOC1)c1ccn[nH]1
InChIInChI=1S/C9H15N3O3S/c13-16(14,9-3-4-10-12-9)11-6-8-2-1-5-15-7-8/h3-4,8,11H,1-2,5-7H2,(H,10,12)
InChIKeyJYKDZAARXPACRV-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.11
Rot. Bonds4

About N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide

N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692335) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102692335
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCCOC1)c1ccn[nH]1
InChIInChI=1S/C9H15N3O3S/c13-16(14,9-3-4-10-12-9)11-6-8-2-1-5-15-7-8/h3-4,8,11H,1-2,5-7H2,(H,10,12)
InChIKeyJYKDZAARXPACRV-UHFFFAOYSA-N
XLogP0.11
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
CID 102691651
N-[(3-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 107414868
N-[(3-hydroxycyclobutyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693146
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 107297786
N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692339
1-(oxan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61019453
N-[2-(oxolan-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102692344
N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692871
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54905708
N-[(5-oxopyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693077
4-[[(3S)-oxan-3-yl]methylsulfamoyl]benzoic acid
CID 51892056

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide (CID 102692335) is N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NCC1CCCOC1)c1ccn[nH]1.
What is the InChIKey of N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is JYKDZAARXPACRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c13-16(14,9-3-4-10-12-9)11-6-8-2-1-5-15-7-8/h3-4,8,11H,1-2,5-7H2,(H,10,12).
What are the key properties of N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).