(2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine

C18H23N3O3S — CID 129400028

IUPAC(2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCC4)CCO2)cn1
InChIInChI=1S/C18H23N3O3S/c1-2-20-12-16(11-19-20)18-13-21(8-9-24-18)25(22,23)17-7-6-14-4-3-5-15(14)10-17/h6-7,10-12,18H,2-5,8-9,13H2,1H3/t18-/m0/s1
InChIKeyQATHSXAFOFGKQD-SFHVURJKSA-N
MW361.47 g/mol
LogP2.15
Rot. Bonds4

About (2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine

(2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine (PubChem CID 129400028) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
PubChem CID129400028
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCC4)CCO2)cn1
InChIInChI=1S/C18H23N3O3S/c1-2-20-12-16(11-19-20)18-13-21(8-9-24-18)25(22,23)17-7-6-14-4-3-5-15(14)10-17/h6-7,10-12,18H,2-5,8-9,13H2,1H3/t18-/m0/s1
InChIKeyQATHSXAFOFGKQD-SFHVURJKSA-N
XLogP2.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine
CID 99827489
(2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 99827482
(2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine
CID 99827501
(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 99827504
(2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400004
3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonyl-4-methylbenzonitrile
CID 128999495
(2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400024
5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine
CID 129001445
1-[6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 75494749
(2R)-2-(1-ethylpyrazol-4-yl)-4-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]morpholine
CID 129430932
(2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine
CID 129400016
4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 129001409

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine?
The IUPAC name of (2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine (CID 129400028) is (2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine?
The canonical SMILES for (2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine is CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCC4)CCO2)cn1.
What is the InChIKey of (2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine?
The InChIKey is QATHSXAFOFGKQD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-20-12-16(11-19-20)18-13-21(8-9-24-18)25(22,23)17-7-6-14-4-3-5-15(14)10-17/h6-7,10-12,18H,2-5,8-9,13H2,1H3/t18-/m0/s1.
What are the key properties of (2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine?
(2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine has a molecular weight of 361.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine is sourced from PubChem (CID 129400028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).