3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine

C8H13N3O3S — CID 47267296

IUPAC3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
SMILESCC1COCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O3S/c1-7-6-14-3-2-11(7)15(12,13)8-4-9-10-5-8/h4-5,7H,2-3,6H2,1H3,(H,9,10)
InChIKeyAQCVFXPIMZTKJB-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.18
Rot. Bonds2

About 3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine

3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine (PubChem CID 47267296) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine.

Molecular Properties

Compound Name3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
PubChem CID47267296
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
SMILESCC1COCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O3S/c1-7-6-14-3-2-11(7)15(12,13)8-4-9-10-5-8/h4-5,7H,2-3,6H2,1H3,(H,9,10)
InChIKeyAQCVFXPIMZTKJB-UHFFFAOYSA-N
XLogP-0.18
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(piperidin-1-ylmethyl)-4-(1H-pyrazol-4-ylsulfonyl)-1,4-oxazepane
CID 164642938
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60959701
4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 60911162
N-[(3S)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide
CID 91059253
N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide
CID 91089856
4-(1H-pyrazol-4-ylmethylsulfonyl)morpholine
CID 175255076
N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide
CID 47267289
2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 47267367
N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide
CID 47267370
N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 47267374
2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 47267384
1-propan-2-yl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 47267410

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The IUPAC name of 3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine (CID 47267296) is 3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine.
What is the SMILES notation for 3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The canonical SMILES for 3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine is CC1COCCN1S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The InChIKey is AQCVFXPIMZTKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-7-6-14-3-2-11(7)15(12,13)8-4-9-10-5-8/h4-5,7H,2-3,6H2,1H3,(H,9,10).
What are the key properties of 3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine has a molecular weight of 231.28 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine is sourced from PubChem (CID 47267296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).