2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

C17H22N2O2S — CID 118738844

IUPAC2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCCN2C(=O)c2cccs2)CN1CC1CC1
InChIInChI=1S/C17H22N2O2S/c20-15-10-17(12-18(15)11-13-5-6-13)7-1-2-8-19(17)16(21)14-4-3-9-22-14/h3-4,9,13H,1-2,5-8,10-12H2
InChIKeyHWYFLILGSMLZTP-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.76
Rot. Bonds3

About 2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 118738844) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
PubChem CID118738844
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCCN2C(=O)c2cccs2)CN1CC1CC1
InChIInChI=1S/C17H22N2O2S/c20-15-10-17(12-18(15)11-13-5-6-13)7-1-2-8-19(17)16(21)14-4-3-9-22-14/h3-4,9,13H,1-2,5-8,10-12H2
InChIKeyHWYFLILGSMLZTP-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (CID 118738844) is 2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is O=C1CC2(CCCCN2C(=O)c2cccs2)CN1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is HWYFLILGSMLZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c20-15-10-17(12-18(15)11-13-5-6-13)7-1-2-8-19(17)16(21)14-4-3-9-22-14/h3-4,9,13H,1-2,5-8,10-12H2.
What are the key properties of 2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one has a molecular weight of 318.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 118738844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).