2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine

C9H15N3O2S2 — CID 102693433

IUPAC2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine
SMILESCC1(C)CN(S(=O)(=O)c2ccn[nH]2)CCS1
InChIInChI=1S/C9H15N3O2S2/c1-9(2)7-12(5-6-15-9)16(13,14)8-3-4-10-11-8/h3-4H,5-7H2,1-2H3,(H,10,11)
InChIKeyPJUZNBSNOQUJPF-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.93
Rot. Bonds2

About 2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine

2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine (PubChem CID 102693433) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine
PubChem CID102693433
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC Name2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine
SMILESCC1(C)CN(S(=O)(=O)c2ccn[nH]2)CCS1
InChIInChI=1S/C9H15N3O2S2/c1-9(2)7-12(5-6-15-9)16(13,14)8-3-4-10-11-8/h3-4H,5-7H2,1-2H3,(H,10,11)
InChIKeyPJUZNBSNOQUJPF-UHFFFAOYSA-N
XLogP0.93
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693060
4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile
CID 107160788
3-ethyl-1-(1H-pyrazol-5-ylsulfonyl)azetidin-3-amine
CID 102694117
4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine
CID 115683090
3-(2,2-dimethylthiomorpholin-4-yl)sulfonylbenzenesulfonyl fluoride
CID 114791781
2-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorobenzoic acid
CID 102919651
4-(5-bromo-2-methylphenyl)sulfonyl-2,2-dimethylthiomorpholine
CID 113252457
4-[(5-bromo-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine
CID 113252456
5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
CID 102693338
2-[4-(2,2-dimethylthiomorpholin-4-yl)sulfonylphenyl]acetonitrile
CID 115683063
(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
CID 102693661
8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 102692224

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine?
The IUPAC name of 2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine (CID 102693433) is 2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine.
What is the SMILES notation for 2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine?
The canonical SMILES for 2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine is CC1(C)CN(S(=O)(=O)c2ccn[nH]2)CCS1.
What is the InChIKey of 2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine?
The InChIKey is PJUZNBSNOQUJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c1-9(2)7-12(5-6-15-9)16(13,14)8-3-4-10-11-8/h3-4H,5-7H2,1-2H3,(H,10,11).
What are the key properties of 2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine?
2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine has a molecular weight of 261.37 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine is sourced from PubChem (CID 102693433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).