(2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide

C7H16N2OS — CID 22815132

IUPAC(2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide
SMILESCCNC(=O)[C@@H](N)CCSC
InChIInChI=1S/C7H16N2OS/c1-3-9-7(10)6(8)4-5-11-2/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyYZQGVSFQPLMCPI-LURJTMIESA-N
MW176.28 g/mol
LogP0.20
Rot. Bonds5

About (2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide

(2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide (PubChem CID 22815132) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide
PubChem CID22815132
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name(2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide
SMILESCCNC(=O)[C@@H](N)CCSC
InChIInChI=1S/C7H16N2OS/c1-3-9-7(10)6(8)4-5-11-2/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyYZQGVSFQPLMCPI-LURJTMIESA-N
XLogP0.20
TPSA55.12 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 ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetyl-DL-methioninamide
CID 536763
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide
CID 11088924
(S)-2-Acetamido-4-(methylthio)butanamide
CID 7004900
(2R)-N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145980045
S-[2-[[(2R)-2-acetamido-3-acetylsulfanyl-propanoyl]amino]ethyl] ethanethioate
CID 516558
S-[2-[[(2S)-2-aminopropanoyl]amino]ethyl] ethanethioate;hydrobromide
CID 18631475
Acetic acid, thio-, S-2-(2-aminopropionamido)ethyl ester, hydrobromide
CID 57215
Valenamide, N-(2-mercaptoethyl)-, hydrobromide
CID 3078314
2-acetamido-N-ethyl-3-(methylsulfanyl)propanamide
CID 13048727
3-(methylsulfanyl)-N-(propan-2-yl)propanamide
CID 21304893
2-(Methylamino)-4-(methylsulfanyl)butanamide
CID 23563340
(2s)-2-(Acetylamino)-N-Methyl-4-[(R)-Methylsulfinyl]butanamide
CID 44228992

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide (CID 22815132) is (2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide is CCNC(=O)[C@@H](N)CCSC.
What is the InChIKey of (2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide?
The InChIKey is YZQGVSFQPLMCPI-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2OS/c1-3-9-7(10)6(8)4-5-11-2/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide?
(2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide has a molecular weight of 176.28 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 22815132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).