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

C8H13N3O3S — CID 106833798

IUPAC(3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
SMILESC[C@@H]1COCCN1S(=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)/t7-/m1/s1
InChIKeyAQCVFXPIMZTKJB-SSDOTTSWSA-N
MW231.28 g/mol
LogP-0.18
Rot. Bonds2

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

(3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine (PubChem CID 106833798) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is (3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
PubChem CID106833798
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name(3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
SMILESC[C@@H]1COCCN1S(=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)/t7-/m1/s1
InChIKeyAQCVFXPIMZTKJB-SSDOTTSWSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The IUPAC name of (3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine (CID 106833798) is (3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine.
What is the SMILES notation for (3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The canonical SMILES for (3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine is C[C@@H]1COCCN1S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of (3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The InChIKey is AQCVFXPIMZTKJB-SSDOTTSWSA-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)/t7-/m1/s1.
What are the key properties of (3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
(3R)-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 (3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine is sourced from PubChem (CID 106833798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).