(2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide

C15H23N3O2S — CID 95909142

IUPAC(2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccsc1
InChIInChI=1S/C15H23N3O2S/c1-3-17(4-2)14(19)13-6-5-8-18(13)15(20)16-10-12-7-9-21-11-12/h7,9,11,13H,3-6,8,10H2,1-2H3,(H,16,20)/t13-/m0/s1
InChIKeyGHDKSSHCRIWUAJ-ZDUSSCGKSA-N
MW309.43 g/mol
LogP2.29
Rot. Bonds5

About (2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide

(2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 95909142) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is (2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID95909142
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name(2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccsc1
InChIInChI=1S/C15H23N3O2S/c1-3-17(4-2)14(19)13-6-5-8-18(13)15(20)16-10-12-7-9-21-11-12/h7,9,11,13H,3-6,8,10H2,1-2H3,(H,16,20)/t13-/m0/s1
InChIKeyGHDKSSHCRIWUAJ-ZDUSSCGKSA-N
XLogP2.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 95909142) is (2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide is CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccsc1.
What is the InChIKey of (2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is GHDKSSHCRIWUAJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-17(4-2)14(19)13-6-5-8-18(13)15(20)16-10-12-7-9-21-11-12/h7,9,11,13H,3-6,8,10H2,1-2H3,(H,16,20)/t13-/m0/s1.
What are the key properties of (2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 309.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N,2-N-diethyl-1-N-(thiophen-3-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 95909142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).