4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide

C11H22N2O3S — CID 140671742

IUPAC4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide
SMILESCSCC[C@@H](CO)N1CC(C)OC(C(N)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-8-5-13(6-10(16-8)11(12)15)9(7-14)3-4-17-2/h8-10,14H,3-7H2,1-2H3,(H2,12,15)/t8?,9-,10?/m0/s1
InChIKeyBDCOBKIBOLTTFI-KYHHOPLUSA-N
MW262.37 g/mol
LogP-0.32
Rot. Bonds6

About 4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide

4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide (PubChem CID 140671742) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide
PubChem CID140671742
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide
SMILESCSCC[C@@H](CO)N1CC(C)OC(C(N)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-8-5-13(6-10(16-8)11(12)15)9(7-14)3-4-17-2/h8-10,14H,3-7H2,1-2H3,(H2,12,15)/t8?,9-,10?/m0/s1
InChIKeyBDCOBKIBOLTTFI-KYHHOPLUSA-N
XLogP-0.32
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate
CID 124777783
(2S)-2-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 91636201
2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride
CID 130735459
(2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide
CID 98888148
2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 60644884
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43361262
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 130503163
(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one
CID 104906985
2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine
CID 116503923
tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate
CID 177184014
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide
CID 47030863

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of 4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide (CID 140671742) is 4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide is CSCC[C@@H](CO)N1CC(C)OC(C(N)=O)C1.
What is the InChIKey of 4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide?
The InChIKey is BDCOBKIBOLTTFI-KYHHOPLUSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-8-5-13(6-10(16-8)11(12)15)9(7-14)3-4-17-2/h8-10,14H,3-7H2,1-2H3,(H2,12,15)/t8?,9-,10?/m0/s1.
What are the key properties of 4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide?
4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide has a molecular weight of 262.37 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 140671742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).