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

C11H24N2OS — CID 61165499

IUPAC(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(C)CCC(C)C
InChIInChI=1S/C11H24N2OS/c1-9(2)5-7-13(3)11(14)10(12)6-8-15-4/h9-10H,5-8,12H2,1-4H3/t10-/m0/s1
InChIKeySOPPQEGGHXBOLP-JTQLQIEISA-N
MW232.39 g/mol
LogP1.57
Rot. Bonds7

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

(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide (PubChem CID 61165499) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide
PubChem CID61165499
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(C)CCC(C)C
InChIInChI=1S/C11H24N2OS/c1-9(2)5-7-13(3)11(14)10(12)6-8-15-4/h9-10H,5-8,12H2,1-4H3/t10-/m0/s1
InChIKeySOPPQEGGHXBOLP-JTQLQIEISA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
CID 104908350
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
CID 63693500
2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
(2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide
CID 103795919
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 61163636
(2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104907733
(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
CID 61165244
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 142536844
(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 104908209
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-methylsulfanylbutanamide;hydrochloride
CID 119340566

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide (CID 61165499) is (2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)N(C)CCC(C)C.
What is the InChIKey of (2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide?
The InChIKey is SOPPQEGGHXBOLP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2OS/c1-9(2)5-7-13(3)11(14)10(12)6-8-15-4/h9-10H,5-8,12H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide has a molecular weight of 232.39 g/mol, XLogP of 1.57, 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-(3-methylbutyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 61165499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).