(2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine

C13H16N4O3S — CID 95846075

IUPAC(2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine
SMILESCn1cc(S(=O)(=O)N2CCO[C@@H](c3ccccn3)C2)cn1
InChIInChI=1S/C13H16N4O3S/c1-16-9-11(8-15-16)21(18,19)17-6-7-20-13(10-17)12-4-2-3-5-14-12/h2-5,8-9,13H,6-7,10H2,1H3/t13-/m1/s1
InChIKeyLMSCTCOSSLZZLE-CYBMUJFWSA-N
MW308.36 g/mol
LogP0.58
Rot. Bonds3

About (2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine

(2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine (PubChem CID 95846075) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is (2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine.

Molecular Properties

Compound Name(2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine
PubChem CID95846075
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name(2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine
SMILESCn1cc(S(=O)(=O)N2CCO[C@@H](c3ccccn3)C2)cn1
InChIInChI=1S/C13H16N4O3S/c1-16-9-11(8-15-16)21(18,19)17-6-7-20-13(10-17)12-4-2-3-5-14-12/h2-5,8-9,13H,6-7,10H2,1H3/t13-/m1/s1
InChIKeyLMSCTCOSSLZZLE-CYBMUJFWSA-N
XLogP0.58
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 71837262
1,5-anhydro-2,4-dideoxy-3-O-(pyridin-2-ylmethyl)-2-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]amino}-D-threo-pentitol
CID 91793360
(1R,5S)-8-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-3-(pyridin-3-yloxy)-8-azabicyclo[3.2.1]octane
CID 121020920
3-[2-({1-[(1,3,5-Trimethyl-1H-pyrazol-4-YL)sulfonyl]piperidin-4-YL}oxy)ethoxy]pyridine
CID 124064427
(2S)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine
CID 95844763
(2R)-4-(4-fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine
CID 95844764
4-(4-Fluorophenyl)sulfonyl-2-pyridin-2-ylmorpholine
CID 110270632
(2R)-2-[3-(2-fluorophenyl)pyrazin-2-yl]-4-(3-methyl-1-propylpyrazol-4-yl)sulfonylmorpholine
CID 124367575
(2S)-2-[3-(2-fluorophenyl)pyrazin-2-yl]-4-(3-methyl-1-propylpyrazol-4-yl)sulfonylmorpholine
CID 124367576
(2R)-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholine
CID 124367629
(2S)-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholine
CID 124367630
4-[(3-Fluorophenyl)methylsulfonyl]-2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine
CID 127250702

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine?
The IUPAC name of (2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine (CID 95846075) is (2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine.
What is the SMILES notation for (2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine?
The canonical SMILES for (2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine is Cn1cc(S(=O)(=O)N2CCO[C@@H](c3ccccn3)C2)cn1.
What is the InChIKey of (2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine?
The InChIKey is LMSCTCOSSLZZLE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-16-9-11(8-15-16)21(18,19)17-6-7-20-13(10-17)12-4-2-3-5-14-12/h2-5,8-9,13H,6-7,10H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine?
(2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine has a molecular weight of 308.36 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine is sourced from PubChem (CID 95846075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).