N-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

C17H25NO2S — CID 17330668

IUPACN-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2c(s1)CCCCCC2)C1CCCO1
InChIInChI=1S/C17H25NO2S/c1-12(14-8-6-10-20-14)18-17(19)16-11-13-7-4-2-3-5-9-15(13)21-16/h11-12,14H,2-10H2,1H3,(H,18,19)
InChIKeyNPQLCAVGRVTOCS-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.70
Rot. Bonds3

About N-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

N-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (PubChem CID 17330668) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
PubChem CID17330668
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2c(s1)CCCCCC2)C1CCCO1
InChIInChI=1S/C17H25NO2S/c1-12(14-8-6-10-20-14)18-17(19)16-11-13-7-4-2-3-5-9-15(13)21-16/h11-12,14H,2-10H2,1H3,(H,18,19)
InChIKeyNPQLCAVGRVTOCS-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (CID 17330668) is N-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is CC(NC(=O)c1cc2c(s1)CCCCCC2)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The InChIKey is NPQLCAVGRVTOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-12(14-8-6-10-20-14)18-17(19)16-11-13-7-4-2-3-5-9-15(13)21-16/h11-12,14H,2-10H2,1H3,(H,18,19).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
N-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is sourced from PubChem (CID 17330668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).