7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H26N2O2S — CID 72897211

IUPAC7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1cc(C(=O)N2CCC3(CCCN(CC4CC4)C3=O)C2)cs1
InChIInChI=1S/C19H26N2O2S/c1-2-16-10-15(12-24-16)17(22)21-9-7-19(13-21)6-3-8-20(18(19)23)11-14-4-5-14/h10,12,14H,2-9,11,13H2,1H3
InChIKeyBGYUJSFDQFTEAN-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.18
Rot. Bonds4

About 7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72897211) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72897211
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1cc(C(=O)N2CCC3(CCCN(CC4CC4)C3=O)C2)cs1
InChIInChI=1S/C19H26N2O2S/c1-2-16-10-15(12-24-16)17(22)21-9-7-19(13-21)6-3-8-20(18(19)23)11-14-4-5-14/h10,12,14H,2-9,11,13H2,1H3
InChIKeyBGYUJSFDQFTEAN-UHFFFAOYSA-N
XLogP3.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72897211) is 7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCc1cc(C(=O)N2CCC3(CCCN(CC4CC4)C3=O)C2)cs1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BGYUJSFDQFTEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-2-16-10-15(12-24-16)17(22)21-9-7-19(13-21)6-3-8-20(18(19)23)11-14-4-5-14/h10,12,14H,2-9,11,13H2,1H3.
What are the key properties of 7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 346.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-(5-ethylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72897211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).