(2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide

C15H23N3O2S — CID 136580906

IUPAC(2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide
SMILESCCCN(CCc1cccs1)C(=O)[C@@H]1CCCN1C(N)=O
InChIInChI=1S/C15H23N3O2S/c1-2-8-17(10-7-12-5-4-11-21-12)14(19)13-6-3-9-18(13)15(16)20/h4-5,11,13H,2-3,6-10H2,1H3,(H2,16,20)/t13-/m0/s1
InChIKeyLWBJWBRFVPUTIN-ZDUSSCGKSA-N
MW309.43 g/mol
LogP2.07
Rot. Bonds6

About (2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide

(2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 136580906) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is (2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID136580906
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name(2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide
SMILESCCCN(CCc1cccs1)C(=O)[C@@H]1CCCN1C(N)=O
InChIInChI=1S/C15H23N3O2S/c1-2-8-17(10-7-12-5-4-11-21-12)14(19)13-6-3-9-18(13)15(16)20/h4-5,11,13H,2-3,6-10H2,1H3,(H2,16,20)/t13-/m0/s1
InChIKeyLWBJWBRFVPUTIN-ZDUSSCGKSA-N
XLogP2.07
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclopentyl-2-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-1,2-dicarboxamide
CID 46983442
ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate
CID 55236129
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
(2S)-2-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 131891978
2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 80996502
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 52569061
1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758507
methyl (2R)-2-(dipropylcarbamoyl)piperidine-1-carboxylate
CID 102330821
3-amino-N-ethyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119292705
2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119172478
3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
CID 6624810
(2R)-N-(2-methoxyethyl)-1-(thiophene-2-carbonyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 40938596

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide (CID 136580906) is (2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide is CCCN(CCc1cccs1)C(=O)[C@@H]1CCCN1C(N)=O.
What is the InChIKey of (2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is LWBJWBRFVPUTIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-8-17(10-7-12-5-4-11-21-12)14(19)13-6-3-9-18(13)15(16)20/h4-5,11,13H,2-3,6-10H2,1H3,(H2,16,20)/t13-/m0/s1.
What are the key properties of (2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 309.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-propyl-2-N-(2-thiophen-2-ylethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 136580906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).