(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone

C15H22N2OS — CID 97493554

IUPAC(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone
SMILESCCN1CCCC12CCN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C15H22N2OS/c1-2-17-8-3-5-15(17)6-9-16(10-7-15)14(18)13-4-11-19-12-13/h4,11-12H,2-3,5-10H2,1H3
InChIKeyHQGUBRMQLWPYTG-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.84
Rot. Bonds2

About (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone

(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone (PubChem CID 97493554) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone
PubChem CID97493554
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone
SMILESCCN1CCCC12CCN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C15H22N2OS/c1-2-17-8-3-5-15(17)6-9-16(10-7-15)14(18)13-4-11-19-12-13/h4,11-12H,2-3,5-10H2,1H3
InChIKeyHQGUBRMQLWPYTG-UHFFFAOYSA-N
XLogP2.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(piperidin-1-yl)but-2-yn-1-yl)thiophene-3-carboxamide
CID 71792650
(2-Propan-2-ylthiomorpholin-4-yl)-thiophen-3-ylmethanone
CID 72118345
2-(2-Methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370160
[1-(2-Methoxyethyl)-1,7-diazaspiro[3.5]nonan-7-yl]-thiophen-3-ylmethanone
CID 97399212
1-[(2S,3aR,7aS)-2-[(dimethylamino)methyl]-5-(thiophene-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]ethanone
CID 97460088
[(2S,3aR,7aS)-1-methyl-2-(pyrrolidin-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97460106
N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
CID 97493601
N,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
CID 97493770
[(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875949
2-Methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738840
2-Ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738841
2-(Cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118739680

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone?
The IUPAC name of (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone (CID 97493554) is (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone is CCN1CCCC12CCN(C(=O)c1ccsc1)CC2.
What is the InChIKey of (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone?
The InChIKey is HQGUBRMQLWPYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-17-8-3-5-15(17)6-9-16(10-7-15)14(18)13-4-11-19-12-13/h4,11-12H,2-3,5-10H2,1H3.
What are the key properties of (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone?
(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone has a molecular weight of 278.42 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 97493554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).