(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide

C10H22N2OS — CID 103797449

IUPAC(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide
SMILESCC[C@H](N)C(=O)N(C)C(C)CCSC
InChIInChI=1S/C10H22N2OS/c1-5-9(11)10(13)12(3)8(2)6-7-14-4/h8-9H,5-7,11H2,1-4H3/t8?,9-/m0/s1
InChIKeyHKMNDKGSHBQVCO-GKAPJAKFSA-N
MW218.37 g/mol
LogP1.32
Rot. Bonds6

About (2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide

(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide (PubChem CID 103797449) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide
PubChem CID103797449
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide
SMILESCC[C@H](N)C(=O)N(C)C(C)CCSC
InChIInChI=1S/C10H22N2OS/c1-5-9(11)10(13)12(3)8(2)6-7-14-4/h8-9H,5-7,11H2,1-4H3/t8?,9-/m0/s1
InChIKeyHKMNDKGSHBQVCO-GKAPJAKFSA-N
XLogP1.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 103797446
(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
CID 61165244
(2S)-2-amino-N,3,3-trimethyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 104876484
N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide
CID 107036026
(2S)-2-amino-N-methyl-N-(3-methylbutan-2-yl)butanamide
CID 79024933
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate
CID 116658052
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
CID 112659073
(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
CID 104908350
2-amino-N,N-dimethylbutanamide
CID 43649466
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-4-methylsulfanylbutanamide
CID 104908627
2-hydroxy-1-methyl-1-(4-methylsulfanylbutan-2-yl)guanidine
CID 104876660

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide (CID 103797449) is (2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide is CC[C@H](N)C(=O)N(C)C(C)CCSC.
What is the InChIKey of (2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide?
The InChIKey is HKMNDKGSHBQVCO-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-5-9(11)10(13)12(3)8(2)6-7-14-4/h8-9H,5-7,11H2,1-4H3/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide?
(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide has a molecular weight of 218.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide is sourced from PubChem (CID 103797449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).