N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide

C14H26N2O3S — CID 63140283

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC)C2CCS(=O)(=O)C2)CCNC1
InChIInChI=1S/C14H26N2O3S/c1-3-6-14(7-8-15-11-14)13(17)16(4-2)12-5-9-20(18,19)10-12/h12,15H,3-11H2,1-2H3
InChIKeyCGQGQJNZNXPSFE-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.80
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide (PubChem CID 63140283) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
PubChem CID63140283
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC)C2CCS(=O)(=O)C2)CCNC1
InChIInChI=1S/C14H26N2O3S/c1-3-6-14(7-8-15-11-14)13(17)16(4-2)12-5-9-20(18,19)10-12/h12,15H,3-11H2,1-2H3
InChIKeyCGQGQJNZNXPSFE-UHFFFAOYSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63139877
1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide
CID 115452794
N-(1,1-dioxothiolan-3-yl)-3-ethyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 63131860
N-(cyclopropylmethyl)-N,3-dipropylpyrrolidine-3-carboxamide
CID 63138996
N-cyclopropyl-N,4-diethylpiperidine-4-carboxamide
CID 63127607
4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247507
N-cyclopentyl-N-prop-2-enyl-3-propylpiperidine-3-carboxamide
CID 63131593
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63138858
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
cyclopropyl-(3-propylpyrrolidin-3-yl)methanone
CID 116570693
2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 65461375
N-butyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63143362

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide (CID 63140283) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)N(CC)C2CCS(=O)(=O)C2)CCNC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide?
The InChIKey is CGQGQJNZNXPSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-3-6-14(7-8-15-11-14)13(17)16(4-2)12-5-9-20(18,19)10-12/h12,15H,3-11H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63140283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).