(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine

C16H21N3O3S — CID 125007028

IUPAC(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine
SMILESCS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1CCc1ccccc1
InChIInChI=1S/C16H21N3O3S/c1-23(20,21)15-11-17-18-16(15)14-12-22-10-9-19(14)8-7-13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyUKMTVWGRLZXUES-CQSZACIVSA-N
MW335.43 g/mol
LogP1.43
Rot. Bonds5

About (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine

(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine (PubChem CID 125007028) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine
PubChem CID125007028
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine
SMILESCS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1CCc1ccccc1
InChIInChI=1S/C16H21N3O3S/c1-23(20,21)15-11-17-18-16(15)14-12-22-10-9-19(14)8-7-13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyUKMTVWGRLZXUES-CQSZACIVSA-N
XLogP1.43
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine?
The IUPAC name of (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine (CID 125007028) is (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine.
What is the SMILES notation for (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine?
The canonical SMILES for (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine is CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1CCc1ccccc1.
What is the InChIKey of (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine?
The InChIKey is UKMTVWGRLZXUES-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-23(20,21)15-11-17-18-16(15)14-12-22-10-9-19(14)8-7-13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine?
(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine has a molecular weight of 335.43 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)-4-(2-phenylethyl)morpholine is sourced from PubChem (CID 125007028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).