(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide

C11H24N2OS — CID 104908509

IUPAC(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide
SMILESCCC(C)(C)N(C)C(=O)[C@H](N)CCSC
InChIInChI=1S/C11H24N2OS/c1-6-11(2,3)13(4)10(14)9(12)7-8-15-5/h9H,6-8,12H2,1-5H3/t9-/m1/s1
InChIKeyJWXHRGKQIXMKPJ-SECBINFHSA-N
MW232.39 g/mol
LogP1.71
Rot. Bonds6

About (2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide (PubChem CID 104908509) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide
PubChem CID104908509
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide
SMILESCCC(C)(C)N(C)C(=O)[C@H](N)CCSC
InChIInChI=1S/C11H24N2OS/c1-6-11(2,3)13(4)10(14)9(12)7-8-15-5/h9H,6-8,12H2,1-5H3/t9-/m1/s1
InChIKeyJWXHRGKQIXMKPJ-SECBINFHSA-N
XLogP1.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide
CID 104863936
4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 64888587
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
CID 104908350
(2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide
CID 103795919
(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 61165499
(2R)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpentanamide
CID 107570627
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 104908209
(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715
(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
CID 61165244
(2S)-2-amino-N-methyl-4-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 61165285
2-[(2-amino-4-methylsulfanylbutanoyl)-(3-hydroxybutanoyl)amino]propanoic acid
CID 175113876

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide (CID 104908509) is (2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide is CCC(C)(C)N(C)C(=O)[C@H](N)CCSC.
What is the InChIKey of (2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is JWXHRGKQIXMKPJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-6-11(2,3)13(4)10(14)9(12)7-8-15-5/h9H,6-8,12H2,1-5H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 232.39 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).