(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide

C11H24N2OS — CID 103797446

IUPAC(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
SMILESCCC[C@@H](N)C(=O)N(C)C(C)CCSC
InChIInChI=1S/C11H24N2OS/c1-5-6-10(12)11(14)13(3)9(2)7-8-15-4/h9-10H,5-8,12H2,1-4H3/t9?,10-/m1/s1
InChIKeyAGUPGSVIJMRUBX-QVDQXJPCSA-N
MW232.39 g/mol
LogP1.71
Rot. Bonds7

About (2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide

(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide (PubChem CID 103797446) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
PubChem CID103797446
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
SMILESCCC[C@@H](N)C(=O)N(C)C(C)CCSC
InChIInChI=1S/C11H24N2OS/c1-5-6-10(12)11(14)13(3)9(2)7-8-15-4/h9-10H,5-8,12H2,1-4H3/t9?,10-/m1/s1
InChIKeyAGUPGSVIJMRUBX-QVDQXJPCSA-N
XLogP1.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 103797449
(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-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715
(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide
CID 104906933
(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
CID 104908350
(2R)-2-amino-N-hydroxy-N-methylpentanamide
CID 131057070
1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea
CID 115640922
(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 61165499
(2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide
CID 107568254

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide?
The IUPAC name of (2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide (CID 103797446) is (2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide?
The canonical SMILES for (2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide is CCC[C@@H](N)C(=O)N(C)C(C)CCSC.
What is the InChIKey of (2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide?
The InChIKey is AGUPGSVIJMRUBX-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-5-6-10(12)11(14)13(3)9(2)7-8-15-4/h9-10H,5-8,12H2,1-4H3/t9?,10-/m1/s1.
What are the key properties of (2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide?
(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide has a molecular weight of 232.39 g/mol, XLogP of 1.71, 7 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-(4-methylsulfanylbutan-2-yl)pentanamide is sourced from PubChem (CID 103797446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).