N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide

C13H16N2OS2 — CID 80745714

IUPACN-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide
SMILESCCN(C(=O)c1cc2sccc2s1)C1CCNC1
InChIInChI=1S/C13H16N2OS2/c1-2-15(9-3-5-14-8-9)13(16)12-7-11-10(18-12)4-6-17-11/h4,6-7,9,14H,2-3,5,8H2,1H3
InChIKeyXGHRMCUUGKGNNF-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.79
Rot. Bonds3

About N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide

N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80745714) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide
PubChem CID80745714
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC NameN-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide
SMILESCCN(C(=O)c1cc2sccc2s1)C1CCNC1
InChIInChI=1S/C13H16N2OS2/c1-2-15(9-3-5-14-8-9)13(16)12-7-11-10(18-12)4-6-17-11/h4,6-7,9,14H,2-3,5,8H2,1H3
InChIKeyXGHRMCUUGKGNNF-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 80537895
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 63299732
methyl 2-[cyclopentyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 80718192
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide
CID 119531080
N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 106629058
5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 79990331
3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
CID 80641610
N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806005
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
CID 60806173
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745817
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide (CID 80745714) is N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide is CCN(C(=O)c1cc2sccc2s1)C1CCNC1.
What is the InChIKey of N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is XGHRMCUUGKGNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-2-15(9-3-5-14-8-9)13(16)12-7-11-10(18-12)4-6-17-11/h4,6-7,9,14H,2-3,5,8H2,1H3.
What are the key properties of N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide?
N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80745714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).