N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide

C11H22N2O2S — CID 115740086

IUPACN-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide
SMILESCSCCC(C)NC(=O)CC1CNCCO1
InChIInChI=1S/C11H22N2O2S/c1-9(3-6-16-2)13-11(14)7-10-8-12-4-5-15-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyWDMXMLIMAPSLKC-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.62
Rot. Bonds6

About N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide

N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide (PubChem CID 115740086) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide
PubChem CID115740086
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide
SMILESCSCCC(C)NC(=O)CC1CNCCO1
InChIInChI=1S/C11H22N2O2S/c1-9(3-6-16-2)13-11(14)7-10-8-12-4-5-15-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyWDMXMLIMAPSLKC-UHFFFAOYSA-N
XLogP0.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid
CID 66427872
(2R)-2-[(2-morpholin-2-ylacetyl)amino]propanoic acid
CID 79036623
2-morpholin-2-yl-N-(4-phenylbutan-2-yl)acetamide
CID 66428944
N-methyl-2-[(2-morpholin-2-ylacetyl)amino]propanamide
CID 66428310
N-(2-methylsulfanylpropyl)-2-morpholin-2-ylacetamide
CID 102561586
N-[(2S)-1-hydroxybutan-2-yl]-2-morpholin-2-ylacetamide
CID 107222428
(2S)-3,3-dimethyl-2-[(2-morpholin-2-ylacetyl)amino]butanoic acid
CID 66429146
N-(4-methylpentyl)-2-morpholin-2-ylacetamide
CID 66428292
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119796743
N-(4-hydroxy-1-methoxybutan-2-yl)-2-morpholin-2-ylacetamide
CID 114151968
N-[1-(1-adamantyl)ethyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119675308
2-morpholin-2-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686106

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide (CID 115740086) is N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide is CSCCC(C)NC(=O)CC1CNCCO1.
What is the InChIKey of N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide?
The InChIKey is WDMXMLIMAPSLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(3-6-16-2)13-11(14)7-10-8-12-4-5-15-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide?
N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide has a molecular weight of 246.38 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 115740086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).