4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine

C9H14ClN3O2S2 — CID 3868687

IUPAC4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C9H14ClN3O2S2/c1-7-8(9(10)12(2)11-7)17(14,15)13-3-5-16-6-4-13/h3-6H2,1-2H3
InChIKeyCRGXWOISHFWDCP-UHFFFAOYSA-N
MW295.82 g/mol
LogP1.12
Rot. Bonds2

About 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine

4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine (PubChem CID 3868687) has the molecular formula C9H14ClN3O2S2 and a molecular weight of 295.82 g/mol. Its IUPAC name is 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine.

Molecular Properties

Compound Name4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine
PubChem CID3868687
Molecular FormulaC9H14ClN3O2S2
Molecular Weight295.82 g/mol
Exact Mass295.02
IUPAC Name4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C9H14ClN3O2S2/c1-7-8(9(10)12(2)11-7)17(14,15)13-3-5-16-6-4-13/h3-6H2,1-2H3
InChIKeyCRGXWOISHFWDCP-UHFFFAOYSA-N
XLogP1.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine?
The IUPAC name of 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine (CID 3868687) is 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine.
What is the SMILES notation for 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine?
The canonical SMILES for 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCSCC1.
What is the InChIKey of 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine?
The InChIKey is CRGXWOISHFWDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S2/c1-7-8(9(10)12(2)11-7)17(14,15)13-3-5-16-6-4-13/h3-6H2,1-2H3.
What are the key properties of 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine?
4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine has a molecular weight of 295.82 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine is sourced from PubChem (CID 3868687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).