5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide

C15H21N3O2S — CID 167804825

IUPAC5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide
SMILESCN1CCCC1C1CCCN1C(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C15H21N3O2S/c1-17-6-2-4-11(17)12-5-3-7-18(12)15(20)13-8-10(9-21-13)14(16)19/h8-9,11-12H,2-7H2,1H3,(H2,16,19)
InChIKeyIUAUJHCFKGRZJE-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.55
Rot. Bonds3

About 5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide

5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide (PubChem CID 167804825) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide
PubChem CID167804825
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide
SMILESCN1CCCC1C1CCCN1C(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C15H21N3O2S/c1-17-6-2-4-11(17)12-5-3-7-18(12)15(20)13-8-10(9-21-13)14(16)19/h8-9,11-12H,2-7H2,1H3,(H2,16,19)
InChIKeyIUAUJHCFKGRZJE-UHFFFAOYSA-N
XLogP1.55
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide
CID 95621426
5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 97041948
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95328917
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 136578762
(3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427472
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 167791427
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 129427496
4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide
CID 122141657
5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide
CID 120579115
5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide
CID 124590095
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286876

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide?
The IUPAC name of 5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide (CID 167804825) is 5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide is CN1CCCC1C1CCCN1C(=O)c1cc(C(N)=O)cs1.
What is the InChIKey of 5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide?
The InChIKey is IUAUJHCFKGRZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-17-6-2-4-11(17)12-5-3-7-18(12)15(20)13-8-10(9-21-13)14(16)19/h8-9,11-12H,2-7H2,1H3,(H2,16,19).
What are the key properties of 5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide?
5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide is sourced from PubChem (CID 167804825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).