N-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide

C10H17NO3S — CID 144641304

IUPACN-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide
SMILESCC(=O)CCSC(C(C)=O)N(C)C(C)=O
InChIInChI=1S/C10H17NO3S/c1-7(12)5-6-15-10(8(2)13)11(4)9(3)14/h10H,5-6H2,1-4H3
InChIKeyUZIYWQFBIBHIBY-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.09
Rot. Bonds6

About N-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide

N-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide (PubChem CID 144641304) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide
PubChem CID144641304
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC NameN-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide
SMILESCC(=O)CCSC(C(C)=O)N(C)C(C)=O
InChIInChI=1S/C10H17NO3S/c1-7(12)5-6-15-10(8(2)13)11(4)9(3)14/h10H,5-6H2,1-4H3
InChIKeyUZIYWQFBIBHIBY-UHFFFAOYSA-N
XLogP1.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 59974512
4-(2-methylsulfanylethylsulfanyl)butan-2-one
CID 130647594
4-(3-hydroxybut-3-enylsulfanyl)butan-2-one
CID 138535754
N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide
CID 20666056
hexane-2,5-dione
CID 8035
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
N-methyl-N-(3-oxobutyl)acetamide
CID 12830531
sodium;hydride;4-methylsulfanylbutan-2-one
CID 175274491
7-acetyldecane-2,5,9-trione
CID 57070336
2-amino-N-methyl-3-(3-oxobutylsulfanyl)propanamide
CID 165044395
N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
CID 54055812
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide?
The IUPAC name of N-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide (CID 144641304) is N-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide?
The canonical SMILES for N-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide is CC(=O)CCSC(C(C)=O)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide?
The InChIKey is UZIYWQFBIBHIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-7(12)5-6-15-10(8(2)13)11(4)9(3)14/h10H,5-6H2,1-4H3.
What are the key properties of N-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide?
N-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide has a molecular weight of 231.32 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide is sourced from PubChem (CID 144641304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).