(2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine

C15H18ClN3O3S2 — CID 99792277

IUPAC(2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine
SMILESC[C@@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1nnc(S(C)(=O)=O)s1
InChIInChI=1S/C15H18ClN3O3S2/c1-10-9-22-13(11-5-3-4-6-12(11)16)7-19(10)8-14-17-18-15(23-14)24(2,20)21/h3-6,10,13H,7-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyAKLLKBQHOLGPKM-ZWNOBZJWSA-N
MW387.91 g/mol
LogP2.56
Rot. Bonds4

About (2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine

(2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine (PubChem CID 99792277) has the molecular formula C15H18ClN3O3S2 and a molecular weight of 387.91 g/mol. Its IUPAC name is (2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine
PubChem CID99792277
Molecular FormulaC15H18ClN3O3S2
Molecular Weight387.91 g/mol
Exact Mass387.05
IUPAC Name(2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine
SMILESC[C@@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1nnc(S(C)(=O)=O)s1
InChIInChI=1S/C15H18ClN3O3S2/c1-10-9-22-13(11-5-3-4-6-12(11)16)7-19(10)8-14-17-18-15(23-14)24(2,20)21/h3-6,10,13H,7-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyAKLLKBQHOLGPKM-ZWNOBZJWSA-N
XLogP2.56
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine with MolForge

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Related Compounds

3-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094799
3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094798
2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride
CID 71930920
4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol
CID 97319822
N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide
CID 95621900
(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
CID 146049310
(2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide
CID 99806997
1-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 124686478
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-(methylamino)butan-1-one
CID 119784334
(2S)-2-(2-chlorophenyl)oxirane
CID 12561900
[(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
CID 95620407
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine?
The IUPAC name of (2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine (CID 99792277) is (2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine.
What is the SMILES notation for (2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine?
The canonical SMILES for (2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine is C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1nnc(S(C)(=O)=O)s1.
What is the InChIKey of (2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine?
The InChIKey is AKLLKBQHOLGPKM-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H18ClN3O3S2/c1-10-9-22-13(11-5-3-4-6-12(11)16)7-19(10)8-14-17-18-15(23-14)24(2,20)21/h3-6,10,13H,7-9H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of (2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine?
(2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine has a molecular weight of 387.91 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine is sourced from PubChem (CID 99792277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).