2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide

C10H22N2O2S — CID 115739288

IUPAC2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide
SMILESCCC(C)C(N)C(=O)NCCCS(C)=O
InChIInChI=1S/C10H22N2O2S/c1-4-8(2)9(11)10(13)12-6-5-7-15(3)14/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyWRTFBHQYKFQWDX-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.24
Rot. Bonds7

About 2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide

2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide (PubChem CID 115739288) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide
PubChem CID115739288
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide
SMILESCCC(C)C(N)C(=O)NCCCS(C)=O
InChIInChI=1S/C10H22N2O2S/c1-4-8(2)9(11)10(13)12-6-5-7-15(3)14/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyWRTFBHQYKFQWDX-UHFFFAOYSA-N
XLogP0.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
7-[[(2S)-2-amino-3-methylpentanoyl]amino]heptanoic acid
CID 61172355
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide
CID 113327482
(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide
CID 61155526
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide (CID 115739288) is 2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide is CCC(C)C(N)C(=O)NCCCS(C)=O.
What is the InChIKey of 2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide?
The InChIKey is WRTFBHQYKFQWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-8(2)9(11)10(13)12-6-5-7-15(3)14/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide?
2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide has a molecular weight of 234.36 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide is sourced from PubChem (CID 115739288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).