1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

C16H22N2O2S — CID 118738961

IUPAC1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CCCC12CCCN(C(=O)c1ccsc1)C2
InChIInChI=1S/C16H22N2O2S/c1-2-18-14(19)5-3-7-16(18)8-4-9-17(12-16)15(20)13-6-10-21-11-13/h6,10-11H,2-5,7-9,12H2,1H3
InChIKeyFMRCPMNYHLQKNQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.76
Rot. Bonds2

About 1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 118738961) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID118738961
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CCCC12CCCN(C(=O)c1ccsc1)C2
InChIInChI=1S/C16H22N2O2S/c1-2-18-14(19)5-3-7-16(18)8-4-9-17(12-16)15(20)13-6-10-21-11-13/h6,10-11H,2-5,7-9,12H2,1H3
InChIKeyFMRCPMNYHLQKNQ-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (CID 118738961) is 1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is CCN1C(=O)CCCC12CCCN(C(=O)c1ccsc1)C2.
What is the InChIKey of 1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is FMRCPMNYHLQKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-18-14(19)5-3-7-16(18)8-4-9-17(12-16)15(20)13-6-10-21-11-13/h6,10-11H,2-5,7-9,12H2,1H3.
What are the key properties of 1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 306.43 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 118738961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).