methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate

C11H20N2O4S — CID 3285258

IUPACmethyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate
SMILESCOC(=O)C(CCSC)NC(=O)N1CCOCC1
InChIInChI=1S/C11H20N2O4S/c1-16-10(14)9(3-8-18-2)12-11(15)13-4-6-17-7-5-13/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyQGZXOGNAYFGTJI-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.32
Rot. Bonds5

About methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate

methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate (PubChem CID 3285258) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate
PubChem CID3285258
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Namemethyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate
SMILESCOC(=O)C(CCSC)NC(=O)N1CCOCC1
InChIInChI=1S/C11H20N2O4S/c1-16-10(14)9(3-8-18-2)12-11(15)13-4-6-17-7-5-13/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyQGZXOGNAYFGTJI-UHFFFAOYSA-N
XLogP0.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide
CID 115640219
methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
CID 69416705
methyl (2S)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylsulfanylbutanoate
CID 7584210
methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]-4-methylsulfanylbutanoate
CID 3341859
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate
CID 68821113
3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
CID 81077004
methyl 4-methylsulfanyl-2-(propanoylamino)butanoate
CID 21476824
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61197467
2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 115535345
methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate
CID 940643
(2S)-2-[(4-methylpiperazine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 2017199

Frequently Asked Questions

What is the IUPAC name of methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate?
The IUPAC name of methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate (CID 3285258) is methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate.
What is the SMILES notation for methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate?
The canonical SMILES for methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate is COC(=O)C(CCSC)NC(=O)N1CCOCC1.
What is the InChIKey of methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate?
The InChIKey is QGZXOGNAYFGTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-16-10(14)9(3-8-18-2)12-11(15)13-4-6-17-7-5-13/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate?
methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate has a molecular weight of 276.36 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate is sourced from PubChem (CID 3285258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).