N-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide

C15H27NO3S — CID 158769923

IUPACN-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide
SMILESCSCCC(CC(C)=O)C(=O)NC(CC(C)C)C(C)=O
InChIInChI=1S/C15H27NO3S/c1-10(2)8-14(12(4)18)16-15(19)13(6-7-20-5)9-11(3)17/h10,13-14H,6-9H2,1-5H3,(H,16,19)
InChIKeyGKVXKERTBIOXHG-UHFFFAOYSA-N
MW301.45 g/mol
LogP2.45
Rot. Bonds10

About N-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide

N-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide (PubChem CID 158769923) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is N-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide
PubChem CID158769923
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC NameN-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide
SMILESCSCCC(CC(C)=O)C(=O)NC(CC(C)C)C(C)=O
InChIInChI=1S/C15H27NO3S/c1-10(2)8-14(12(4)18)16-15(19)13(6-7-20-5)9-11(3)17/h10,13-14H,6-9H2,1-5H3,(H,16,19)
InChIKeyGKVXKERTBIOXHG-UHFFFAOYSA-N
XLogP2.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl N-[1-[[4-methyl-1-[(1-methylsulfanyl-4-oxopentan-3-yl)amino]-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 122432672
methyl 3-[[(2R,5S)-2-benzyl-7-methyl-5-[[(2S)-2-(2-methylsulfanylethyl)-4-oxopentanoyl]amino]-4-oxooctanoyl]amino]propanoate
CID 161215718
(3S)-4-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid;hydrochloride
CID 22796366
(2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-[[(3S)-5-methylsulfanyl-1,2-dioxopentan-3-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 134824608
(2R)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-[[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 92510313
(4S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-5-oxopentanoic acid
CID 170261624
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide;dihydrochloride
CID 88741441
2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]butanedioic acid
CID 18222872
2-methylpropyl N-(1-methylsulfanyl-4-oxopentan-3-yl)carbamate
CID 122432676
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 145456990
(2,5-dioxopyrrolidin-1-yl) (2S,5S)-7-methyl-2-(2-methylsulfanylethyl)-5-[[(2S)-2-(2-methylsulfanylethyl)-4-oxobutanoyl]amino]-4-oxooctanoate
CID 158178578
2-benzyl-7-methyl-5-[[2-(2-methylsulfanylethyl)-4-oxobutanoyl]amino]-4-oxo-N-(3-oxobutyl)octanamide
CID 159672009

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide?
The IUPAC name of N-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide (CID 158769923) is N-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide.
What is the SMILES notation for N-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide?
The canonical SMILES for N-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide is CSCCC(CC(C)=O)C(=O)NC(CC(C)C)C(C)=O.
What is the InChIKey of N-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide?
The InChIKey is GKVXKERTBIOXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-10(2)8-14(12(4)18)16-15(19)13(6-7-20-5)9-11(3)17/h10,13-14H,6-9H2,1-5H3,(H,16,19).
What are the key properties of N-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide?
N-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide has a molecular weight of 301.45 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-oxohexan-3-yl)-2-(2-methylsulfanylethyl)-4-oxopentanamide is sourced from PubChem (CID 158769923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).