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

C17H24N2O2S — CID 2712578

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C17H24N2O2S/c20-16-8-4-10-19(16)11-5-9-18-17(21)15-12-13-6-2-1-3-7-14(13)22-15/h12H,1-11H2,(H,18,21)
InChIKeyZULSFMJGGKXSHD-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.76
Rot. Bonds5

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

N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (PubChem CID 2712578) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
PubChem CID2712578
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C17H24N2O2S/c20-16-8-4-10-19(16)11-5-9-18-17(21)15-12-13-6-2-1-3-7-14(13)22-15/h12H,1-11H2,(H,18,21)
InChIKeyZULSFMJGGKXSHD-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (CID 2712578) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is O=C(NCCCN1CCCC1=O)c1cc2c(s1)CCCCC2.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The InChIKey is ZULSFMJGGKXSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-16-8-4-10-19(16)11-5-9-18-17(21)15-12-13-6-2-1-3-7-14(13)22-15/h12H,1-11H2,(H,18,21).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is sourced from PubChem (CID 2712578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).