N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide

C12H22N2O5S — CID 60937739

IUPACN-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
SMILESCOCCN(C(=O)C1CC(O)CN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O5S/c1-19-4-3-14(9-2-5-20(17,18)8-9)12(16)11-6-10(15)7-13-11/h9-11,13,15H,2-8H2,1H3
InChIKeyPSBSOLUWUUPRRT-UHFFFAOYSA-N
MW306.38 g/mol
LogP-1.63
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 60937739) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
PubChem CID60937739
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
SMILESCOCCN(C(=O)C1CC(O)CN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O5S/c1-19-4-3-14(9-2-5-20(17,18)8-9)12(16)11-6-10(15)7-13-11/h9-11,13,15H,2-8H2,1H3
InChIKeyPSBSOLUWUUPRRT-UHFFFAOYSA-N
XLogP-1.63
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)azepane-2-carboxamide
CID 64562839
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63005577
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 60937621
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpyrrolidine-3-carboxamide
CID 79389242
4-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992822
N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-methyloxamide
CID 108526153
4-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 82948394
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyethoxy)-N-(2-methoxyethyl)acetamide
CID 103606749
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)carbamate
CID 79346493
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 61266603
4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)oxolane-3-carboxamide
CID 66240464
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide
CID 79024346

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (CID 60937739) is N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide is COCCN(C(=O)C1CC(O)CN1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is PSBSOLUWUUPRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-19-4-3-14(9-2-5-20(17,18)8-9)12(16)11-6-10(15)7-13-11/h9-11,13,15H,2-8H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 306.38 g/mol, XLogP of -1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60937739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).