3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine

C10H17N3O3S — CID 110740749

IUPAC3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1COCC1(C)C
InChIInChI=1S/C10H17N3O3S/c1-7-9(8(2)12-11-7)17(14,15)13-6-16-5-10(13,3)4/h5-6H2,1-4H3,(H,11,12)
InChIKeyJTMZECCTZSYUEU-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.78
Rot. Bonds2

About 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine

3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine (PubChem CID 110740749) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine
PubChem CID110740749
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1COCC1(C)C
InChIInChI=1S/C10H17N3O3S/c1-7-9(8(2)12-11-7)17(14,15)13-6-16-5-10(13,3)4/h5-6H2,1-4H3,(H,11,12)
InChIKeyJTMZECCTZSYUEU-UHFFFAOYSA-N
XLogP0.78
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,3-dimethyl-1,4-dihydroisoquinoline
CID 110712891
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethylmorpholine
CID 16767831
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid
CID 63123861
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
CID 43544982
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-1,4-diazepane
CID 16768219
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dimethylpiperazine;hydrochloride
CID 120725679
4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
CID 103536788
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine
CID 122332190
8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764411
4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335366

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine (CID 110740749) is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine is Cc1n[nH]c(C)c1S(=O)(=O)N1COCC1(C)C.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine?
The InChIKey is JTMZECCTZSYUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-7-9(8(2)12-11-7)17(14,15)13-6-16-5-10(13,3)4/h5-6H2,1-4H3,(H,11,12).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine?
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine has a molecular weight of 259.33 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 110740749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).