(2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide

C16H26N2O2S — CID 99632804

IUPAC(2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESC[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)NCc1cccs1
InChIInChI=1S/C16H26N2O2S/c1-11(14(19)17-10-12-7-6-8-21-12)18-13-9-15(2,3)20-16(13,4)5/h6-8,11,13,18H,9-10H2,1-5H3,(H,17,19)/t11-,13-/m1/s1
InChIKeyYCCAUYXQAWDNDC-DGCLKSJQSA-N
MW310.46 g/mol
LogP2.69
Rot. Bonds5

About (2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide

(2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 99632804) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is (2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID99632804
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name(2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESC[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)NCc1cccs1
InChIInChI=1S/C16H26N2O2S/c1-11(14(19)17-10-12-7-6-8-21-12)18-13-9-15(2,3)20-16(13,4)5/h6-8,11,13,18H,9-10H2,1-5H3,(H,17,19)/t11-,13-/m1/s1
InChIKeyYCCAUYXQAWDNDC-DGCLKSJQSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine
CID 79918908
2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide
CID 91580682
1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 114622374
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 98791446
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide
CID 79916589
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498
(2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 94821156
(2S)-2-(4-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27070191
(2R)-2-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 9444129

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide (CID 99632804) is (2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide is C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)NCc1cccs1.
What is the InChIKey of (2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is YCCAUYXQAWDNDC-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11(14(19)17-10-12-7-6-8-21-12)18-13-9-15(2,3)20-16(13,4)5/h6-8,11,13,18H,9-10H2,1-5H3,(H,17,19)/t11-,13-/m1/s1.
What are the key properties of (2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide?
(2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 310.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 99632804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).