(2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide

C10H22N2OS — CID 63957573

IUPAC(2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide
SMILESCSCCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C10H22N2OS/c1-8(2)7-9(11)10(13)12-5-4-6-14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyPELNOTNEIAERQW-VIFPVBQESA-N
MW218.37 g/mol
LogP1.23
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide

(2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide (PubChem CID 63957573) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide
PubChem CID63957573
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name(2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide
SMILESCSCCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C10H22N2OS/c1-8(2)7-9(11)10(13)12-5-4-6-14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyPELNOTNEIAERQW-VIFPVBQESA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide (CID 63957573) is (2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide is CSCCCNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide?
The InChIKey is PELNOTNEIAERQW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2OS/c1-8(2)7-9(11)10(13)12-5-4-6-14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide?
(2S)-2-amino-4-methyl-N-(3-methylsulfanylpropyl)pentanamide has a molecular weight of 218.37 g/mol, XLogP of 1.23, 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-(3-methylsulfanylpropyl)pentanamide is sourced from PubChem (CID 63957573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).