5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one

C14H20N2O2S — CID 110201368

IUPAC5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one
SMILESO=C1CCN(C(=O)c2ccsc2)CCCCCCN1
InChIInChI=1S/C14H20N2O2S/c17-13-5-9-16(8-4-2-1-3-7-15-13)14(18)12-6-10-19-11-12/h6,10-11H,1-5,7-9H2,(H,15,17)
InChIKeyINHFKKXRLKSKPP-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.27
Rot. Bonds1

About 5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one

5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one (PubChem CID 110201368) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one
PubChem CID110201368
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one
SMILESO=C1CCN(C(=O)c2ccsc2)CCCCCCN1
InChIInChI=1S/C14H20N2O2S/c17-13-5-9-16(8-4-2-1-3-7-15-13)14(18)12-6-10-19-11-12/h6,10-11H,1-5,7-9H2,(H,15,17)
InChIKeyINHFKKXRLKSKPP-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-(piperidin-1-yl)but-2-yn-1-yl)thiophene-3-carboxamide
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N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
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N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)thiophene-3-carboxamide
CID 118740728
1-(Thiophene-3-carbonyl)-1,4-diazepane
CID 16778101
N-(piperidin-4-yl)thiophene-3-carboxamide hydrochloride
CID 45787133
N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)thiophene-3-carboxamide
CID 45558601
1-(Thiophene-3-carbonyl)piperidine-4-carboxamide
CID 45795500
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CID 49688188

Frequently Asked Questions

What is the IUPAC name of 5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one (CID 110201368) is 5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one is O=C1CCN(C(=O)c2ccsc2)CCCCCCN1.
What is the InChIKey of 5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one?
The InChIKey is INHFKKXRLKSKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-13-5-9-16(8-4-2-1-3-7-15-13)14(18)12-6-10-19-11-12/h6,10-11H,1-5,7-9H2,(H,15,17).
What are the key properties of 5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one?
5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one has a molecular weight of 280.39 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).