(2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine

C18H25N3O3S — CID 99827501

IUPAC(2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine
SMILESCCn1cc([C@H]2CN(S(=O)(=O)c3cccc(C(C)C)c3)CCO2)cn1
InChIInChI=1S/C18H25N3O3S/c1-4-20-12-16(11-19-20)18-13-21(8-9-24-18)25(22,23)17-7-5-6-15(10-17)14(2)3/h5-7,10-12,14,18H,4,8-9,13H2,1-3H3/t18-/m1/s1
InChIKeyYQUBDNLPFCWHCE-GOSISDBHSA-N
MW363.48 g/mol
LogP2.79
Rot. Bonds5

About (2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine

(2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine (PubChem CID 99827501) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is (2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name(2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine
PubChem CID99827501
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name(2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine
SMILESCCn1cc([C@H]2CN(S(=O)(=O)c3cccc(C(C)C)c3)CCO2)cn1
InChIInChI=1S/C18H25N3O3S/c1-4-20-12-16(11-19-20)18-13-21(8-9-24-18)25(22,23)17-7-5-6-15(10-17)14(2)3/h5-7,10-12,14,18H,4,8-9,13H2,1-3H3/t18-/m1/s1
InChIKeyYQUBDNLPFCWHCE-GOSISDBHSA-N
XLogP2.79
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine?
The IUPAC name of (2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine (CID 99827501) is (2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine.
What is the SMILES notation for (2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine?
The canonical SMILES for (2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine is CCn1cc([C@H]2CN(S(=O)(=O)c3cccc(C(C)C)c3)CCO2)cn1.
What is the InChIKey of (2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine?
The InChIKey is YQUBDNLPFCWHCE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-4-20-12-16(11-19-20)18-13-21(8-9-24-18)25(22,23)17-7-5-6-15(10-17)14(2)3/h5-7,10-12,14,18H,4,8-9,13H2,1-3H3/t18-/m1/s1.
What are the key properties of (2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine?
(2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine has a molecular weight of 363.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine is sourced from PubChem (CID 99827501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).