1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C17H27N3OS — CID 97493714

IUPAC1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1C(=O)CCC12CCN(Cc1cccs1)CC2
InChIInChI=1S/C17H27N3OS/c1-18(2)11-12-20-16(21)5-6-17(20)7-9-19(10-8-17)14-15-4-3-13-22-15/h3-4,13H,5-12,14H2,1-2H3
InChIKeyJYVNYEOEWXYYPZ-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.27
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493714) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493714
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1C(=O)CCC12CCN(Cc1cccs1)CC2
InChIInChI=1S/C17H27N3OS/c1-18(2)11-12-20-16(21)5-6-17(20)7-9-19(10-8-17)14-15-4-3-13-22-15/h3-4,13H,5-12,14H2,1-2H3
InChIKeyJYVNYEOEWXYYPZ-UHFFFAOYSA-N
XLogP2.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97493714) is 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is CN(C)CCN1C(=O)CCC12CCN(Cc1cccs1)CC2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JYVNYEOEWXYYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-18(2)11-12-20-16(21)5-6-17(20)7-9-19(10-8-17)14-15-4-3-13-22-15/h3-4,13H,5-12,14H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 321.49 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).