2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide

C14H26N2O4S — CID 64685282

IUPAC2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)CC1(N)CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O4S/c1-20-8-7-16(12-4-9-21(18,19)11-12)13(17)10-14(15)5-2-3-6-14/h12H,2-11,15H2,1H3
InChIKeyHPYBXGRMINYQKC-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.31
Rot. Bonds6

About 2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide

2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 64685282) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
PubChem CID64685282
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)CC1(N)CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O4S/c1-20-8-7-16(12-4-9-21(18,19)11-12)13(17)10-14(15)5-2-3-6-14/h12H,2-11,15H2,1H3
InChIKeyHPYBXGRMINYQKC-UHFFFAOYSA-N
XLogP0.31
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyethoxy)-N-(2-methoxyethyl)acetamide
CID 103606749
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949711
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 61266603
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)carbamate
CID 79346493
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide
CID 79024346
N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-methyloxamide
CID 108526153
4-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992822
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 62727218
2-(1-aminocyclohexyl)-N-cyclopropyl-N-propylacetamide
CID 64684772
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 60937621
N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63139877
ethyl 4-[2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]-2-oxoacetyl]piperazine-1-carboxylate
CID 108527336

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide (CID 64685282) is 2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide is COCCN(C(=O)CC1(N)CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is HPYBXGRMINYQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-20-8-7-16(12-4-9-21(18,19)11-12)13(17)10-14(15)5-2-3-6-14/h12H,2-11,15H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide?
2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 318.44 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 64685282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).