2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide

C13H24N2O2S — CID 54871455

IUPAC2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide
SMILESCOCCN(C(=O)C(C)(N)C1CC1)C1CCSC1
InChIInChI=1S/C13H24N2O2S/c1-13(14,10-3-4-10)12(16)15(6-7-17-2)11-5-8-18-9-11/h10-11H,3-9,14H2,1-2H3
InChIKeyKCGWIJDRUZIREY-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.09
Rot. Bonds6

About 2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide

2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide (PubChem CID 54871455) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide
PubChem CID54871455
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide
SMILESCOCCN(C(=O)C(C)(N)C1CC1)C1CCSC1
InChIInChI=1S/C13H24N2O2S/c1-13(14,10-3-4-10)12(16)15(6-7-17-2)11-5-8-18-9-11/h10-11H,3-9,14H2,1-2H3
InChIKeyKCGWIJDRUZIREY-UHFFFAOYSA-N
XLogP1.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide
CID 79013230
7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide
CID 54871392
2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide
CID 60867525
5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid
CID 54875063
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 64612000
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
5-[2-methoxyethyl(thiolan-3-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688134
(2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide
CID 61163362
3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 79759087
4-amino-N-(2-methoxyethyl)-1-methyl-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106233
3-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-carboxamide
CID 64523862

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide (CID 54871455) is 2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide is COCCN(C(=O)C(C)(N)C1CC1)C1CCSC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide?
The InChIKey is KCGWIJDRUZIREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-13(14,10-3-4-10)12(16)15(6-7-17-2)11-5-8-18-9-11/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide?
2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide has a molecular weight of 272.41 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide is sourced from PubChem (CID 54871455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).