5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C16H25N3OS — CID 53171208

IUPAC5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c(s1)CN(C1CCCC1)C2
InChIInChI=1S/C16H25N3OS/c1-18(2)8-7-17-16(20)14-9-12-10-19(11-15(12)21-14)13-5-3-4-6-13/h9,13H,3-8,10-11H2,1-2H3,(H,17,20)
InChIKeyAVHTUXJYQDRABG-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.30
Rot. Bonds5

About 5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171208) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171208
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c(s1)CN(C1CCCC1)C2
InChIInChI=1S/C16H25N3OS/c1-18(2)8-7-17-16(20)14-9-12-10-19(11-15(12)21-14)13-5-3-4-6-13/h9,13H,3-8,10-11H2,1-2H3,(H,17,20)
InChIKeyAVHTUXJYQDRABG-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171208) is 5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is CN(C)CCNC(=O)c1cc2c(s1)CN(C1CCCC1)C2.
What is the InChIKey of 5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is AVHTUXJYQDRABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-18(2)8-7-17-16(20)14-9-12-10-19(11-15(12)21-14)13-5-3-4-6-13/h9,13H,3-8,10-11H2,1-2H3,(H,17,20).
What are the key properties of 5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[2-(dimethylamino)ethyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).