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

C12H22N2O4S — CID 63005577

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(C(=O)C1CCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O4S/c1-18-6-5-14(11-3-7-19(16,17)9-11)12(15)10-2-4-13-8-10/h10-11,13H,2-9H2,1H3
InChIKeyKNGHZLQCXFCABC-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.74
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide (PubChem CID 63005577) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
PubChem CID63005577
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(C(=O)C1CCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O4S/c1-18-6-5-14(11-3-7-19(16,17)9-11)12(15)10-2-4-13-8-10/h10-11,13H,2-9H2,1H3
InChIKeyKNGHZLQCXFCABC-UHFFFAOYSA-N
XLogP-0.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 60937621
N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide
CID 119268053
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)azepane-2-carboxamide
CID 64562839
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpyrrolidine-3-carboxamide
CID 79389242
N-cyclopropyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 60948031
N-(1,1-dioxothiolan-3-yl)-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 60937739
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)-2-(2-methoxyethoxy)-N-(2-methoxyethyl)acetamide
CID 103606749
N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63139877
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)carbamate
CID 79346493
N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-methyloxamide
CID 108526153
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 61266603

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide (CID 63005577) is N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide is COCCN(C(=O)C1CCNC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The InChIKey is KNGHZLQCXFCABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-18-6-5-14(11-3-7-19(16,17)9-11)12(15)10-2-4-13-8-10/h10-11,13H,2-9H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of -0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).