(3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine

C15H18ClN3O4S — CID 97344824

IUPAC(3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCC(C)c1nc([C@H]2COCCN2S(=O)(=O)c2ccccc2Cl)no1
InChIInChI=1S/C15H18ClN3O4S/c1-10(2)15-17-14(18-23-15)12-9-22-8-7-19(12)24(20,21)13-6-4-3-5-11(13)16/h3-6,10,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyLQICNSPAVNFQHV-GFCCVEGCSA-N
MW371.85 g/mol
LogP2.61
Rot. Bonds4

About (3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine

(3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 97344824) has the molecular formula C15H18ClN3O4S and a molecular weight of 371.85 g/mol. Its IUPAC name is (3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID97344824
Molecular FormulaC15H18ClN3O4S
Molecular Weight371.85 g/mol
Exact Mass371.07
IUPAC Name(3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCC(C)c1nc([C@H]2COCCN2S(=O)(=O)c2ccccc2Cl)no1
InChIInChI=1S/C15H18ClN3O4S/c1-10(2)15-17-14(18-23-15)12-9-22-8-7-19(12)24(20,21)13-6-4-3-5-11(13)16/h3-6,10,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyLQICNSPAVNFQHV-GFCCVEGCSA-N
XLogP2.61
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97345225
(3S)-4-butylsulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344827
3-phenyl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75474925
(2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344782
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
N,N-diethyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxamide
CID 75484023
4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine
CID 110727881
4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 75474711
3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 3758767
N-(3-ethylphenyl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxamide
CID 75473994
3-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]sulfonylbenzonitrile
CID 97344849
(E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 75474922

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of (3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine (CID 97344824) is (3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for (3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for (3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine is CC(C)c1nc([C@H]2COCCN2S(=O)(=O)c2ccccc2Cl)no1.
What is the InChIKey of (3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is LQICNSPAVNFQHV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18ClN3O4S/c1-10(2)15-17-14(18-23-15)12-9-22-8-7-19(12)24(20,21)13-6-4-3-5-11(13)16/h3-6,10,12H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
(3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 371.85 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 97344824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).