(2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide

C14H28N2O2S — CID 104908950

IUPAC(2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide
SMILESCCC1(CC)CC(NC(=O)[C@H](N)CCSC)CCO1
InChIInChI=1S/C14H28N2O2S/c1-4-14(5-2)10-11(6-8-18-14)16-13(17)12(15)7-9-19-3/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t11?,12-/m1/s1
InChIKeyZUOIYZULMRAPRZ-PIJUOVFKSA-N
MW288.46 g/mol
LogP1.92
Rot. Bonds7

About (2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide (PubChem CID 104908950) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide
PubChem CID104908950
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name(2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide
SMILESCCC1(CC)CC(NC(=O)[C@H](N)CCSC)CCO1
InChIInChI=1S/C14H28N2O2S/c1-4-14(5-2)10-11(6-8-18-14)16-13(17)12(15)7-9-19-3/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t11?,12-/m1/s1
InChIKeyZUOIYZULMRAPRZ-PIJUOVFKSA-N
XLogP1.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,2-diethyloxan-4-yl)butanediamide
CID 83028377
2-amino-N-(2,2-diethyloxan-4-yl)-3,3-dimethylbutanamide
CID 112555896
(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide
CID 83029138
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide
CID 114145179
3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide
CID 83028921
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
(2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide
CID 104907401
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide
CID 83029071
(2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 104908109
1-(2,2-diethyloxan-4-yl)-3-propylurea
CID 115865557
(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide
CID 103950535

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide (CID 104908950) is (2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide is CCC1(CC)CC(NC(=O)[C@H](N)CCSC)CCO1.
What is the InChIKey of (2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide?
The InChIKey is ZUOIYZULMRAPRZ-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-4-14(5-2)10-11(6-8-18-14)16-13(17)12(15)7-9-19-3/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide has a molecular weight of 288.46 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).