3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide

C9H17NO3S — CID 154603763

IUPAC3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide
SMILESCSCCC(=O)NCCOCC(C)=O
InChIInChI=1S/C9H17NO3S/c1-8(11)7-13-5-4-10-9(12)3-6-14-2/h3-7H2,1-2H3,(H,10,12)
InChIKeyQDPHMMNLTDBZBU-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.46
Rot. Bonds8

About 3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide

3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide (PubChem CID 154603763) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide
PubChem CID154603763
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide
SMILESCSCCC(=O)NCCOCC(C)=O
InChIInChI=1S/C9H17NO3S/c1-8(11)7-13-5-4-10-9(12)3-6-14-2/h3-7H2,1-2H3,(H,10,12)
InChIKeyQDPHMMNLTDBZBU-UHFFFAOYSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 71787169
2-ethoxy-N-(2-hydroxy-2-methyl-4-(methylthio)butyl)acetamide
CID 71787259
N-{[(R)-3-methoxytetrahydro-3-thienyl]methyl}ethoxyacetamide
CID 97414551
(2R)-2-methoxy-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 57751222
[(2S)-1-(2-methylpropylamino)-4-methylsulfanyl-1-oxobutan-2-yl] acetate
CID 57751235
2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide
CID 59467874
N-[2-(2-ethoxyethoxy)ethyl]-3-methylsulfanylpropanamide
CID 59574039
N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide
CID 59575663
CID 59866919
CID 59866919
N-(2-methoxyethyl)-4-methylsulfanylbutanamide
CID 84325264
S-3-(2-methoxyethylamino)-3-oxopropyl ethanethioate
CID 86709233
2-(3-methylbutoxy)-N-(3-methylsulfanylpropyl)propanamide
CID 87666099

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide?
The IUPAC name of 3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide (CID 154603763) is 3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide?
The canonical SMILES for 3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide is CSCCC(=O)NCCOCC(C)=O.
What is the InChIKey of 3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide?
The InChIKey is QDPHMMNLTDBZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-8(11)7-13-5-4-10-9(12)3-6-14-2/h3-7H2,1-2H3,(H,10,12).
What are the key properties of 3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide?
3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide has a molecular weight of 219.31 g/mol, XLogP of 0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide is sourced from PubChem (CID 154603763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).