(2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide

C10H22N2OS — CID 22691972

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

About (2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide (PubChem CID 22691972) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide
PubChem CID22691972
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name(2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCCC(C)C
InChIInChI=1S/C10H22N2OS/c1-8(2)4-6-12-10(13)9(11)5-7-14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyVJAXBDKZZAERTN-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

Analyze (2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide (CID 22691972) is (2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NCCC(C)C.
What is the InChIKey of (2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide?
The InChIKey is VJAXBDKZZAERTN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2OS/c1-8(2)4-6-12-10(13)9(11)5-7-14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide 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-N-(3-methylbutyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 22691972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).