3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide

C10H18N2O3S — CID 167491105

IUPAC3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide
SMILESCSCC(=O)NCCC(=O)NCCC(C)=O
InChIInChI=1S/C10H18N2O3S/c1-8(13)3-5-11-9(14)4-6-12-10(15)7-16-2/h3-7H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyMIKVZXDLBFEKDB-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.05
Rot. Bonds8

About 3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide

3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide (PubChem CID 167491105) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide.

Molecular Properties

Compound Name3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide
PubChem CID167491105
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide
SMILESCSCC(=O)NCCC(=O)NCCC(C)=O
InChIInChI=1S/C10H18N2O3S/c1-8(13)3-5-11-9(14)4-6-12-10(15)7-16-2/h3-7H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyMIKVZXDLBFEKDB-UHFFFAOYSA-N
XLogP-0.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide
CID 170359661
3-oxo-N-(3-oxobutyl)butanamide
CID 159841934
2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide
CID 170359660
2-bromo-N-(3-oxobutyl)acetamide
CID 58311881
N-(5-bromopentyl)-2-methylsulfanylacetamide
CID 107321815
N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen
CID 153333339
N-[2-(3-oxobutylcarbamoylamino)ethyl]acetamide
CID 108895197
2-hydroxy-4-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107831703
3-ethoxy-N-(3-oxobutyl)propanamide;vanadium
CID 171817114
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide
CID 121480756
6-methoxy-5-oxo-N-(3-oxobutyl)hexanamide
CID 59567342

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide?
The IUPAC name of 3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide (CID 167491105) is 3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide.
What is the SMILES notation for 3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide?
The canonical SMILES for 3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide is CSCC(=O)NCCC(=O)NCCC(C)=O.
What is the InChIKey of 3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide?
The InChIKey is MIKVZXDLBFEKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-8(13)3-5-11-9(14)4-6-12-10(15)7-16-2/h3-7H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of 3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide?
3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide has a molecular weight of 246.33 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide is sourced from PubChem (CID 167491105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).