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

C14H26N2O4S — CID 63139877

IUPACN-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(CCOC)C2CCS(=O)(=O)C2)CCNC1
InChIInChI=1S/C14H26N2O4S/c1-3-14(5-6-15-11-14)13(17)16(7-8-20-2)12-4-9-21(18,19)10-12/h12,15H,3-11H2,1-2H3
InChIKeyDNUBWPYEWPJAQL-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.04
Rot. Bonds6

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

N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide (PubChem CID 63139877) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
PubChem CID63139877
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(CCOC)C2CCS(=O)(=O)C2)CCNC1
InChIInChI=1S/C14H26N2O4S/c1-3-14(5-6-15-11-14)13(17)16(7-8-20-2)12-4-9-21(18,19)10-12/h12,15H,3-11H2,1-2H3
InChIKeyDNUBWPYEWPJAQL-UHFFFAOYSA-N
XLogP0.04
TPSA75.71 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 ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 63128216
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
CID 63140283
N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 63131860
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 60937621
N-butyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63143362
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63005577
3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141640
N-cyclopropyl-N-(2-methoxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63143850
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butanamide
CID 79024346
2-(1-aminocyclopentyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
CID 64685282
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-methylpyrrolidine-3-carboxamide
CID 79389242

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide (CID 63139877) is N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide is CCC1(C(=O)N(CCOC)C2CCS(=O)(=O)C2)CCNC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The InChIKey is DNUBWPYEWPJAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-3-14(5-6-15-11-14)13(17)16(7-8-20-2)12-4-9-21(18,19)10-12/h12,15H,3-11H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 0.04, 6 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)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).