(3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C15H25N3O4S — CID 94888300

IUPAC(3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCCS1(=O)=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C15H25N3O4S/c19-14-10-12(11-18(14)13-4-1-2-5-13)15(20)16-6-8-17-7-3-9-23(17,21)22/h12-13H,1-11H2,(H,16,20)/t12-/m0/s1
InChIKeyIOMOWWKSFXCCJE-LBPRGKRZSA-N
MW343.45 g/mol
LogP-0.07
Rot. Bonds5

About (3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 94888300) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID94888300
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name(3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCCS1(=O)=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C15H25N3O4S/c19-14-10-12(11-18(14)13-4-1-2-5-13)15(20)16-6-8-17-7-3-9-23(17,21)22/h12-13H,1-11H2,(H,16,20)/t12-/m0/s1
InChIKeyIOMOWWKSFXCCJE-LBPRGKRZSA-N
XLogP-0.07
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 49068354
(3R)-1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 7328647
N-[2-(cycloheptylamino)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119619473
1-cyclobutyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110687457
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
(3R)-1-cyclopentyl-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 95283558
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 94888300) is (3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCN1CCCS1(=O)=O)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IOMOWWKSFXCCJE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O4S/c19-14-10-12(11-18(14)13-4-1-2-5-13)15(20)16-6-8-17-7-3-9-23(17,21)22/h12-13H,1-11H2,(H,16,20)/t12-/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94888300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).