N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide

C15H22N2OS — CID 60567051

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C15H22N2OS/c1-2-12-6-8-19-14(12)15(18)16-9-11-5-7-17(10-11)13-3-4-13/h6,8,11,13H,2-5,7,9-10H2,1H3,(H,16,18)
InChIKeyBLPCSLGSIXMCEL-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.52
Rot. Bonds5

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide (PubChem CID 60567051) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide
PubChem CID60567051
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C15H22N2OS/c1-2-12-6-8-19-14(12)15(18)16-9-11-5-7-17(10-11)13-3-4-13/h6,8,11,13H,2-5,7,9-10H2,1H3,(H,16,18)
InChIKeyBLPCSLGSIXMCEL-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-carboxamide
CID 129472100
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
CID 47031179
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 78870756
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 95303166
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792040
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide
CID 78950614
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
(3-ethylthiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263358
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-ethylsulfinylbenzamide
CID 146085428
N-(3-cyclopentylpropyl)-3-ethylthiophene-2-carboxamide
CID 55996333
3-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 62541792
2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 99832914

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide (CID 60567051) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide?
The InChIKey is BLPCSLGSIXMCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-12-6-8-19-14(12)15(18)16-9-11-5-7-17(10-11)13-3-4-13/h6,8,11,13H,2-5,7,9-10H2,1H3,(H,16,18).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 60567051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).