8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one

C13H18N2O3S — CID 110201624

IUPAC8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one
SMILESO=C1CCN(C(=O)c2ccsc2)CCCOCCN1
InChIInChI=1S/C13H18N2O3S/c16-12-2-6-15(5-1-7-18-8-4-14-12)13(17)11-3-9-19-10-11/h3,9-10H,1-2,4-8H2,(H,14,16)
InChIKeyLBOURAGOPNJWHD-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.12
Rot. Bonds1

About 8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one

8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one (PubChem CID 110201624) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one.

Molecular Properties

Compound Name8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one
PubChem CID110201624
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one
SMILESO=C1CCN(C(=O)c2ccsc2)CCCOCCN1
InChIInChI=1S/C13H18N2O3S/c16-12-2-6-15(5-1-7-18-8-4-14-12)13(17)11-3-9-19-10-11/h3,9-10H,1-2,4-8H2,(H,14,16)
InChIKeyLBOURAGOPNJWHD-UHFFFAOYSA-N
XLogP1.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Rel-(9AR,13AS)-1-(3-thienylcarbonyl)dodecahydro-5,1,8-benzoxadiazacycloundecin-9(6H)-one
CID 110202322
2-amino-N-(2-morpholinoethyl)thiophene-3-carboxamide
CID 53383644
N-((3-methoxytetrahydrothiophen-3-yl)methyl)thiophene-3-carboxamide
CID 71804815
N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide
CID 71977244
5-(Thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201368
1-(Thiophene-3-carbonyl)-1,4-diazepane
CID 16778101
N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)thiophene-3-carboxamide
CID 45558601
N-[1-(2-Methoxyethyl)piperidin-4-YL]thiophene-3-carboxamide
CID 47549497
N-(2-hydroxy-3-methoxy-2-methylpropyl)thiophene-3-carboxamide
CID 56724179
N-(4-morpholinobut-2-yn-1-yl)thiophene-3-carboxamide
CID 71792704
N-(2-hydroxy-3-(2-oxopyridin-1(2H)-yl)propyl)thiophene-3-carboxamide
CID 76150344
N-(2-((tetrahydro-2H-pyran-4-yl)thio)ethyl)thiophene-3-carboxamide
CID 86265175

Frequently Asked Questions

What is the IUPAC name of 8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one?
The IUPAC name of 8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one (CID 110201624) is 8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one.
What is the SMILES notation for 8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one?
The canonical SMILES for 8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one is O=C1CCN(C(=O)c2ccsc2)CCCOCCN1.
What is the InChIKey of 8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one?
The InChIKey is LBOURAGOPNJWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-12-2-6-15(5-1-7-18-8-4-14-12)13(17)11-3-9-19-10-11/h3,9-10H,1-2,4-8H2,(H,14,16).
What are the key properties of 8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one?
8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one has a molecular weight of 282.36 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one is sourced from PubChem (CID 110201624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).