4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine

C10H17N3O2S2 — CID 71688426

IUPAC4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine
SMILESCC(C)n1cc(S(=O)(=O)N2CCSCC2)cn1
InChIInChI=1S/C10H17N3O2S2/c1-9(2)13-8-10(7-11-13)17(14,15)12-3-5-16-6-4-12/h7-9H,3-6H2,1-2H3
InChIKeyHBUUHZYTRLYHBS-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.20
Rot. Bonds3

About 4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine

4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine (PubChem CID 71688426) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine.

Molecular Properties

Compound Name4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine
PubChem CID71688426
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine
SMILESCC(C)n1cc(S(=O)(=O)N2CCSCC2)cn1
InChIInChI=1S/C10H17N3O2S2/c1-9(2)13-8-10(7-11-13)17(14,15)12-3-5-16-6-4-12/h7-9H,3-6H2,1-2H3
InChIKeyHBUUHZYTRLYHBS-UHFFFAOYSA-N
XLogP1.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 25247408
1-ethyl-1H-pyrazole-4-sulfonamide
CID 17262698
1-((1-methyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine hydrochloride
CID 53536972
1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54595051
4-methanesulfonyl-1-methyl-1H-pyrazole
CID 57587962
1-(propan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61394736
1-ethyl-N,N-dimethyl-1H-pyrazole-4-sulfonamide
CID 19684369
1-(1-Propan-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 71688427
8-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 71806933
2,2-Dimethyl-4-[(1-methylpyrazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71855029
N-cyclopropyl-1-methyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 52601312
4-((3-(ethylsulfonyl)azetidin-1-yl)sulfonyl)-1-methyl-1H-pyrazole
CID 91625518

Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine?
The IUPAC name of 4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine (CID 71688426) is 4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine.
What is the SMILES notation for 4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine?
The canonical SMILES for 4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine is CC(C)n1cc(S(=O)(=O)N2CCSCC2)cn1.
What is the InChIKey of 4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine?
The InChIKey is HBUUHZYTRLYHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-9(2)13-8-10(7-11-13)17(14,15)12-3-5-16-6-4-12/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine?
4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine has a molecular weight of 275.40 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylpyrazol-4-yl)sulfonylthiomorpholine is sourced from PubChem (CID 71688426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).