(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine

C14H17N3O3S — CID 96545659

IUPAC(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
SMILESCn1cc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cn1
InChIInChI=1S/C14H17N3O3S/c1-16-10-13(9-15-16)21(18,19)17-7-8-20-14(11-17)12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,11H2,1H3/t14-/m1/s1
InChIKeyLOIHFJBCDIIROF-CQSZACIVSA-N
MW307.38 g/mol
LogP1.18
Rot. Bonds3

About (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine

(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine (PubChem CID 96545659) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
PubChem CID96545659
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
SMILESCn1cc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cn1
InChIInChI=1S/C14H17N3O3S/c1-16-10-13(9-15-16)21(18,19)17-7-8-20-14(11-17)12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,11H2,1H3/t14-/m1/s1
InChIKeyLOIHFJBCDIIROF-CQSZACIVSA-N
XLogP1.18
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[4-(1-methylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyridin-3-amine
CID 110272045
2-(chloromethyl)-4-(1-methylpyrazol-4-yl)sulfonylmorpholine
CID 81212095
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
CID 71806101
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
(2R)-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 25281404
4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 95310230
4-(benzenesulfonyl)-2-pyridin-2-ylmorpholine
CID 110270736
(2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine
CID 25281418
1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 75494749
N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide
CID 25281428

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine?
The IUPAC name of (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine (CID 96545659) is (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine is Cn1cc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cn1.
What is the InChIKey of (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine?
The InChIKey is LOIHFJBCDIIROF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-16-10-13(9-15-16)21(18,19)17-7-8-20-14(11-17)12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,11H2,1H3/t14-/m1/s1.
What are the key properties of (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine?
(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine has a molecular weight of 307.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 96545659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).