3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride

C10H14FN3O4S — CID 167815953

IUPAC3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride
SMILESCC1(C)COCCN1C(=O)c1cc(S(=O)(=O)F)[nH]n1
InChIInChI=1S/C10H14FN3O4S/c1-10(2)6-18-4-3-14(10)9(15)7-5-8(13-12-7)19(11,16)17/h5H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyZHYVNSOAEYOBQR-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.32
Rot. Bonds2

About 3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride

3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride (PubChem CID 167815953) has the molecular formula C10H14FN3O4S and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride
PubChem CID167815953
Molecular FormulaC10H14FN3O4S
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride
SMILESCC1(C)COCCN1C(=O)c1cc(S(=O)(=O)F)[nH]n1
InChIInChI=1S/C10H14FN3O4S/c1-10(2)6-18-4-3-14(10)9(15)7-5-8(13-12-7)19(11,16)17/h5H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyZHYVNSOAEYOBQR-UHFFFAOYSA-N
XLogP0.32
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride?
The IUPAC name of 3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride (CID 167815953) is 3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride.
What is the SMILES notation for 3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride?
The canonical SMILES for 3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride is CC1(C)COCCN1C(=O)c1cc(S(=O)(=O)F)[nH]n1.
What is the InChIKey of 3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride?
The InChIKey is ZHYVNSOAEYOBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O4S/c1-10(2)6-18-4-3-14(10)9(15)7-5-8(13-12-7)19(11,16)17/h5H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride?
3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride has a molecular weight of 291.30 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylmorpholine-4-carbonyl)-1H-pyrazole-5-sulfonyl fluoride is sourced from PubChem (CID 167815953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).