2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide

C12H22N2O2S — CID 64612000

IUPAC2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
SMILESCOCCN(C(=O)CC1CNC1)C1CCSC1
InChIInChI=1S/C12H22N2O2S/c1-16-4-3-14(11-2-5-17-9-11)12(15)6-10-7-13-8-10/h10-11,13H,2-9H2,1H3
InChIKeyDHJZNCRFHHZWRR-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.58
Rot. Bonds6

About 2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide

2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide (PubChem CID 64612000) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
PubChem CID64612000
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
SMILESCOCCN(C(=O)CC1CNC1)C1CCSC1
InChIInChI=1S/C12H22N2O2S/c1-16-4-3-14(11-2-5-17-9-11)12(15)6-10-7-13-8-10/h10-11,13H,2-9H2,1H3
InChIKeyDHJZNCRFHHZWRR-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid
CID 54875063
7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide
CID 54871392
2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide
CID 54871455
5-[2-methoxyethyl(thiolan-3-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688134
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide
CID 79013230
(2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide
CID 61163362
3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550350
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 61106399
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 64611813
N-(2-methoxyethyl)-4-propyl-N-(thiolan-3-yl)piperidine-4-carboxamide
CID 63128378
3-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-carboxamide
CID 64523862
2-(azetidin-3-yl)-N-butyl-N-cyclopropylacetamide
CID 64611798

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide (CID 64612000) is 2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide is COCCN(C(=O)CC1CNC1)C1CCSC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide?
The InChIKey is DHJZNCRFHHZWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-16-4-3-14(11-2-5-17-9-11)12(15)6-10-7-13-8-10/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide?
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide has a molecular weight of 258.39 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 64612000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).