(2S)-2-amino-2-methyl-5-methylsulfanylpentanamide

C7H16N2OS — CID 10442235

IUPAC(2S)-2-amino-2-methyl-5-methylsulfanylpentanamide
SMILESCSCCC[C@](C)(N)C(N)=O
InChIInChI=1S/C7H16N2OS/c1-7(9,6(8)10)4-3-5-11-2/h3-5,9H2,1-2H3,(H2,8,10)/t7-/m0/s1
InChIKeyKYOCVKRSFUVKSP-ZETCQYMHSA-N
MW176.28 g/mol
LogP0.33
Rot. Bonds5

About (2S)-2-amino-2-methyl-5-methylsulfanylpentanamide

(2S)-2-amino-2-methyl-5-methylsulfanylpentanamide (PubChem CID 10442235) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is (2S)-2-amino-2-methyl-5-methylsulfanylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-2-methyl-5-methylsulfanylpentanamide
PubChem CID10442235
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name(2S)-2-amino-2-methyl-5-methylsulfanylpentanamide
SMILESCSCCC[C@](C)(N)C(N)=O
InChIInChI=1S/C7H16N2OS/c1-7(9,6(8)10)4-3-5-11-2/h3-5,9H2,1-2H3,(H2,8,10)/t7-/m0/s1
InChIKeyKYOCVKRSFUVKSP-ZETCQYMHSA-N
XLogP0.33
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.33
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

2,5-diamino-2-methylpentanamide
CID 130907221
2-amino-2-methyltetradecanamide
CID 175155192
2-amino-4-(3-hydroxypropylsulfanyl)-2-methylbutanamide
CID 66128757
2-methyl-2-(3-methylsulfanylpropylamino)propanamide
CID 61218812
2-amino-5-(1H-imidazol-2-ylsulfanyl)-2-methylpentanamide
CID 107781855
2-amino-2-formyl-4-methylsulfanylbutanamide
CID 57101655
2-amino-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylhexanamide
CID 104565103
2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide
CID 106275046
2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide
CID 55226399
2-(15N)azanyl-2-methylbutanamide
CID 10844374
methyl 2-amino-2-carbamoyl-4-methylsulfanylbutanoate
CID 57166150
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-methyl-5-methylsulfanylpentanamide?
The IUPAC name of (2S)-2-amino-2-methyl-5-methylsulfanylpentanamide (CID 10442235) is (2S)-2-amino-2-methyl-5-methylsulfanylpentanamide.
What is the SMILES notation for (2S)-2-amino-2-methyl-5-methylsulfanylpentanamide?
The canonical SMILES for (2S)-2-amino-2-methyl-5-methylsulfanylpentanamide is CSCCC[C@](C)(N)C(N)=O.
What is the InChIKey of (2S)-2-amino-2-methyl-5-methylsulfanylpentanamide?
The InChIKey is KYOCVKRSFUVKSP-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-7(9,6(8)10)4-3-5-11-2/h3-5,9H2,1-2H3,(H2,8,10)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-methyl-5-methylsulfanylpentanamide?
(2S)-2-amino-2-methyl-5-methylsulfanylpentanamide has a molecular weight of 176.28 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-methyl-5-methylsulfanylpentanamide is sourced from PubChem (CID 10442235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).