N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

C17H26N2OS — CID 6623142

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1csc2c1CCCCC2
InChIInChI=1S/C17H26N2OS/c1-2-19-10-6-7-13(19)11-18-17(20)15-12-21-16-9-5-3-4-8-14(15)16/h12-13H,2-11H2,1H3,(H,18,20)
InChIKeyFACQCFTXSGRYFR-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.23
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (PubChem CID 6623142) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
PubChem CID6623142
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1csc2c1CCCCC2
InChIInChI=1S/C17H26N2OS/c1-2-19-10-6-7-13(19)11-18-17(20)15-12-21-16-9-5-3-4-8-14(15)16/h12-13H,2-11H2,1H3,(H,18,20)
InChIKeyFACQCFTXSGRYFR-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CID 6623142) is N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is CCN1CCCC1CNC(=O)c1csc2c1CCCCC2.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The InChIKey is FACQCFTXSGRYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-19-10-6-7-13(19)11-18-17(20)15-12-21-16-9-5-3-4-8-14(15)16/h12-13H,2-11H2,1H3,(H,18,20).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide has a molecular weight of 306.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is sourced from PubChem (CID 6623142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).