2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide

C12H24N2O2S — CID 11207696

IUPAC2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide
SMILESCCN(CC)C(=O)C(CSC(C)C)NC(C)=O
InChIInChI=1S/C12H24N2O2S/c1-6-14(7-2)12(16)11(13-10(5)15)8-17-9(3)4/h9,11H,6-8H2,1-5H3,(H,13,15)
InChIKeyRYDVPKCXGXTLCY-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.50
Rot. Bonds7

About 2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide

2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide (PubChem CID 11207696) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide
PubChem CID11207696
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide
SMILESCCN(CC)C(=O)C(CSC(C)C)NC(C)=O
InChIInChI=1S/C12H24N2O2S/c1-6-14(7-2)12(16)11(13-10(5)15)8-17-9(3)4/h9,11H,6-8H2,1-5H3,(H,13,15)
InChIKeyRYDVPKCXGXTLCY-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
CID 484333
N-Acetyl-DL-methioninamide
CID 536763
3,3'-sulfanediylbis[N-(butan-2-yl)propanamide]
CID 2931410
(2R)-N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145981024
(2R)-2-acetamido-N-cyclohexyl-3-methylsulfanylpropanamide
CID 145990859
S-[2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]ethyl] 2-methylpropanethioate
CID 516555
S-[2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]ethyl] 2,2-dimethylpropanethioate
CID 516556
S-[2-[[(2R)-2-acetamido-3-acetylsulfanyl-propanoyl]amino]ethyl] 2-methylpropanethioate
CID 516561
Pivalic acid, thio-, S-2-(2-aminoacetamido)ethyl ester, hydrobromide
CID 24843044
Propionic acid, thio-, S-2-(2-aminoacetamido)ethyl ester, hydrobromide
CID 24843809
3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383075
(2R)-N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145980045

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide?
The IUPAC name of 2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide (CID 11207696) is 2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide?
The canonical SMILES for 2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide is CCN(CC)C(=O)C(CSC(C)C)NC(C)=O.
What is the InChIKey of 2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide?
The InChIKey is RYDVPKCXGXTLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-6-14(7-2)12(16)11(13-10(5)15)8-17-9(3)4/h9,11H,6-8H2,1-5H3,(H,13,15).
What are the key properties of 2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide?
2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide has a molecular weight of 260.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N,N-diethyl-3-propan-2-ylsulfanylpropanamide is sourced from PubChem (CID 11207696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).