(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide

C7H16N2O2S — CID 104908209

IUPAC(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
SMILESCON(C)C(=O)[C@H](N)CCSC
InChIInChI=1S/C7H16N2O2S/c1-9(11-2)7(10)6(8)4-5-12-3/h6H,4-5,8H2,1-3H3/t6-/m1/s1
InChIKeyQLETZLWRDVVJIW-ZCFIWIBFSA-N
MW192.28 g/mol
LogP0.09
Rot. Bonds5

About (2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide

(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide (PubChem CID 104908209) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
PubChem CID104908209
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
SMILESCON(C)C(=O)[C@H](N)CCSC
InChIInChI=1S/C7H16N2O2S/c1-9(11-2)7(10)6(8)4-5-12-3/h6H,4-5,8H2,1-3H3/t6-/m1/s1
InChIKeyQLETZLWRDVVJIW-ZCFIWIBFSA-N
XLogP0.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
CID 104908350
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
methyl 2-amino-4-methylsulfanylbutanoate chloride
CID 170923229
(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
methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride
CID 138397899
(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104908944
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide
CID 104863936
(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908509
(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
CID 61165244
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
CID 63693500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide (CID 104908209) is (2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide is CON(C)C(=O)[C@H](N)CCSC.
What is the InChIKey of (2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is QLETZLWRDVVJIW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-9(11-2)7(10)6(8)4-5-12-3/h6H,4-5,8H2,1-3H3/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide?
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 192.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).