(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide

C12H26N2OS — CID 61165244

IUPAC(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C12H26N2OS/c1-9(2)8-10(3)14(4)12(15)11(13)6-7-16-5/h9-11H,6-8,13H2,1-5H3/t10?,11-/m0/s1
InChIKeyLYUHIVAPRFVJSB-DTIOYNMSSA-N
MW246.42 g/mol
LogP1.96
Rot. Bonds7

About (2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide (PubChem CID 61165244) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
PubChem CID61165244
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C12H26N2OS/c1-9(2)8-10(3)14(4)12(15)11(13)6-7-16-5/h9-11H,6-8,13H2,1-5H3/t10?,11-/m0/s1
InChIKeyLYUHIVAPRFVJSB-DTIOYNMSSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 103797446
(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 103797449
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 61165499
2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide
CID 60939070
(2S)-2-amino-N,3,3-trimethyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 104876484
(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
CID 104908350
N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide
CID 107036026
(2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104907733
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 104908209
(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-4-methylsulfanylbutanamide
CID 104908627

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide (CID 61165244) is (2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)N(C)C(C)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is LYUHIVAPRFVJSB-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-9(2)8-10(3)14(4)12(15)11(13)6-7-16-5/h9-11H,6-8,13H2,1-5H3/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 246.42 g/mol, XLogP of 1.96, 7 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-methylpentan-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 61165244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).