S-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine

C10H18N4S — CID 142529249

IUPACS-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine
SMILESCC(C)(CN1CCC1)n1ccc(SN)n1
InChIInChI=1S/C10H18N4S/c1-10(2,8-13-5-3-6-13)14-7-4-9(12-14)15-11/h4,7H,3,5-6,8,11H2,1-2H3
InChIKeyIILOFFYGGQHROV-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.29
Rot. Bonds4

About S-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine

S-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine (PubChem CID 142529249) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is S-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine
PubChem CID142529249
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameS-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine
SMILESCC(C)(CN1CCC1)n1ccc(SN)n1
InChIInChI=1S/C10H18N4S/c1-10(2,8-13-5-3-6-13)14-7-4-9(12-14)15-11/h4,7H,3,5-6,8,11H2,1-2H3
InChIKeyIILOFFYGGQHROV-UHFFFAOYSA-N
XLogP1.29
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine?
The IUPAC name of S-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine (CID 142529249) is S-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine.
What is the SMILES notation for S-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine?
The canonical SMILES for S-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine is CC(C)(CN1CCC1)n1ccc(SN)n1.
What is the InChIKey of S-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine?
The InChIKey is IILOFFYGGQHROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-10(2,8-13-5-3-6-13)14-7-4-9(12-14)15-11/h4,7H,3,5-6,8,11H2,1-2H3.
What are the key properties of S-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine?
S-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine has a molecular weight of 226.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]thiohydroxylamine is sourced from PubChem (CID 142529249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).