2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide

C10H22N2OS — CID 115740467

IUPAC2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
SMILESCSCC(C)NC(=O)C(N)CC(C)C
InChIInChI=1S/C10H22N2OS/c1-7(2)5-9(11)10(13)12-8(3)6-14-4/h7-9H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyDZGLYPALGJCWIR-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.23
Rot. Bonds6

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

2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide (PubChem CID 115740467) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
PubChem CID115740467
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
SMILESCSCC(C)NC(=O)C(N)CC(C)C
InChIInChI=1S/C10H22N2OS/c1-7(2)5-9(11)10(13)12-8(3)6-14-4/h7-9H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyDZGLYPALGJCWIR-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
CID 103951305
2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide
CID 115734652
(2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide
CID 103812202
(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
CID 119796588
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid
CID 104903890
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526
(2S)-2-amino-N-(4-methylpentan-2-yl)butanamide
CID 79025012
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
4-methylpentan-2-yl 2-amino-4-methylpentanoate
CID 61277406
(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide
CID 104921655
2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472316

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide (CID 115740467) is 2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide is CSCC(C)NC(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide?
The InChIKey is DZGLYPALGJCWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-7(2)5-9(11)10(13)12-8(3)6-14-4/h7-9H,5-6,11H2,1-4H3,(H,12,13).
What are the key properties of 2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide?
2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide has a molecular weight of 218.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide is sourced from PubChem (CID 115740467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).