4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine

C8H13N3O2S2 — CID 60910836

IUPAC4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C8H13N3O2S2/c1-7-8(6-9-10-7)15(12,13)11-2-4-14-5-3-11/h6H,2-5H2,1H3,(H,9,10)
InChIKeyGIFRNXLYQGLDJS-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.46
Rot. Bonds2

About 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine

4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine (PubChem CID 60910836) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine
PubChem CID60910836
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C8H13N3O2S2/c1-7-8(6-9-10-7)15(12,13)11-2-4-14-5-3-11/h6H,2-5H2,1H3,(H,9,10)
InChIKeyGIFRNXLYQGLDJS-UHFFFAOYSA-N
XLogP0.46
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
CID 54929965
4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine
CID 61419062
(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 104975074
4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 63162213
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 62068447
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol
CID 62916778
(3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride
CID 119999942
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1H-pyrazole
CID 63400848
7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996250
4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 103576385
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol
CID 115872482
N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 60958867

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine (CID 60910836) is 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine is Cc1[nH]ncc1S(=O)(=O)N1CCSCC1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine?
The InChIKey is GIFRNXLYQGLDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-7-8(6-9-10-7)15(12,13)11-2-4-14-5-3-11/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine?
4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine has a molecular weight of 247.34 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine is sourced from PubChem (CID 60910836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).