(2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide

C11H24N2OS — CID 103951305

IUPAC(2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
SMILESCCC(CSC)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C11H24N2OS/c1-5-9(7-15-4)13-11(14)10(12)6-8(2)3/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyMLTOVNMJTSNECZ-AXDSSHIGSA-N
MW232.39 g/mol
LogP1.62
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide

(2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide (PubChem CID 103951305) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
PubChem CID103951305
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name(2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
SMILESCCC(CSC)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C11H24N2OS/c1-5-9(7-15-4)13-11(14)10(12)6-8(2)3/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyMLTOVNMJTSNECZ-AXDSSHIGSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
CID 115740467
(2R)-2-amino-4-methylsulfanyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 104909088
2-methyl-3-(1-methylsulfanylbutan-2-ylamino)-3-oxopropanoic acid
CID 114899029
(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61470844
2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472316
(2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 61173670
(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide
CID 104921655
2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide
CID 85264464
methyl (2S,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylpentanoate
CID 15017829
(2S)-2-amino-N-(4-methylpentan-2-yl)butanamide
CID 79025012
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18299348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide (CID 103951305) is (2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide is CCC(CSC)NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide?
The InChIKey is MLTOVNMJTSNECZ-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-5-9(7-15-4)13-11(14)10(12)6-8(2)3/h8-10H,5-7,12H2,1-4H3,(H,13,14)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide?
(2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide has a molecular weight of 232.39 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide is sourced from PubChem (CID 103951305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).