N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C13H24N2O4S2 — CID 103798866

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCSC(CO)C(C)NC(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O4S2/c1-10(11(7-16)20-2)14-12(17)8-21-9-13(18)15-3-5-19-6-4-15/h10-11,16H,3-9H2,1-2H3,(H,14,17)
InChIKeyXHXVHCDSNOKTDA-UHFFFAOYSA-N
MW336.48 g/mol
LogP-0.19
Rot. Bonds8

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 103798866) has the molecular formula C13H24N2O4S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID103798866
Molecular FormulaC13H24N2O4S2
Molecular Weight336.48 g/mol
Exact Mass336.12
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCSC(CO)C(C)NC(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O4S2/c1-10(11(7-16)20-2)14-12(17)8-21-9-13(18)15-3-5-19-6-4-15/h10-11,16H,3-9H2,1-2H3,(H,14,17)
InChIKeyXHXVHCDSNOKTDA-UHFFFAOYSA-N
XLogP-0.19
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide with MolForge

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 79031362
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 103920035
N-(2-hydroxy-3-methylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 115701598
N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride
CID 119617291
N-[1-(4-bromophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55336133
N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 43388901
N-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60700799
N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119591812
N-(2,2-dimethyl-1-phenylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60568639
1-(azepan-1-yl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]ethanone
CID 114151959
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 103895247
(2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 107833509

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 103798866) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is CSC(CO)C(C)NC(=O)CSCC(=O)N1CCOCC1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is XHXVHCDSNOKTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S2/c1-10(11(7-16)20-2)14-12(17)8-21-9-13(18)15-3-5-19-6-4-15/h10-11,16H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 336.48 g/mol, XLogP of -0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 103798866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).