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

C8H18N2O2S — CID 22689055

IUPAC(2S)-2-amino-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
SMILESCOCCNC(=O)[C@@H](N)CCSC
InChIInChI=1S/C8H18N2O2S/c1-12-5-4-10-8(11)7(9)3-6-13-2/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyBDRIAZJKJFDZEB-ZETCQYMHSA-N
MW206.31 g/mol
LogP-0.17
Rot. Bonds7

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

(2S)-2-amino-N-(2-methoxyethyl)-4-methylsulfanylbutanamide (PubChem CID 22689055) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methoxyethyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
PubChem CID22689055
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name(2S)-2-amino-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
SMILESCOCCNC(=O)[C@@H](N)CCSC
InChIInChI=1S/C8H18N2O2S/c1-12-5-4-10-8(11)7(9)3-6-13-2/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyBDRIAZJKJFDZEB-ZETCQYMHSA-N
XLogP-0.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N-(2-methoxyethyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-methoxyethyl)-4-methylsulfanylbutanamide (CID 22689055) is (2S)-2-amino-N-(2-methoxyethyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methoxyethyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methoxyethyl)-4-methylsulfanylbutanamide is COCCNC(=O)[C@@H](N)CCSC.
What is the InChIKey of (2S)-2-amino-N-(2-methoxyethyl)-4-methylsulfanylbutanamide?
The InChIKey is BDRIAZJKJFDZEB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-12-5-4-10-8(11)7(9)3-6-13-2/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methoxyethyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(2-methoxyethyl)-4-methylsulfanylbutanamide has a molecular weight of 206.31 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methoxyethyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 22689055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).