4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide

C12H19N3O2S — CID 126900371

IUPAC4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCC(CN2CC(n3cccn3)C2)CC1
InChIInChI=1S/C12H19N3O2S/c16-18(17)6-2-11(3-7-18)8-14-9-12(10-14)15-5-1-4-13-15/h1,4-5,11-12H,2-3,6-10H2
InChIKeyFKOQRPRSGXVKLU-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.56
Rot. Bonds3

About 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide

4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide (PubChem CID 126900371) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide
PubChem CID126900371
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide
SMILESO=S1(=O)CCC(CN2CC(n3cccn3)C2)CC1
InChIInChI=1S/C12H19N3O2S/c16-18(17)6-2-11(3-7-18)8-14-9-12(10-14)15-5-1-4-13-15/h1,4-5,11-12H,2-3,6-10H2
InChIKeyFKOQRPRSGXVKLU-UHFFFAOYSA-N
XLogP0.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole
CID 126900374
3-pyrazol-1-ylthiolane 1,1-dioxide
CID 43531677
1-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrazole
CID 126946622
1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 126900346
4-(dimethylamino)-1-[3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]azetidin-1-yl]but-2-en-1-one
CID 175700856
4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride
CID 171992327
1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole
CID 126900325
1-(1-cyclobutylazetidin-3-yl)pyrazole
CID 131134144
1-cyclopentylpyrazole
CID 10844435
1-(1-prop-2-enylpyrrolidin-3-yl)pyrazole
CID 130778362
4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine
CID 126946440
1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine
CID 86806817

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide?
The IUPAC name of 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide (CID 126900371) is 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide is O=S1(=O)CCC(CN2CC(n3cccn3)C2)CC1.
What is the InChIKey of 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide?
The InChIKey is FKOQRPRSGXVKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c16-18(17)6-2-11(3-7-18)8-14-9-12(10-14)15-5-1-4-13-15/h1,4-5,11-12H,2-3,6-10H2.
What are the key properties of 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide?
4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide has a molecular weight of 269.37 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide is sourced from PubChem (CID 126900371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).