1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one

C18H29N3OS — CID 118745563

IUPAC1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN(C)CCN1C(=O)CCCC12CCCN(Cc1cccs1)C2
InChIInChI=1S/C18H29N3OS/c1-19(2)11-12-21-17(22)7-3-8-18(21)9-5-10-20(15-18)14-16-6-4-13-23-16/h4,6,13H,3,5,7-12,14-15H2,1-2H3
InChIKeyYKRHNFJTSOWWDU-UHFFFAOYSA-N
MW335.52 g/mol
LogP2.66
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one

1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 118745563) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID118745563
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN(C)CCN1C(=O)CCCC12CCCN(Cc1cccs1)C2
InChIInChI=1S/C18H29N3OS/c1-19(2)11-12-21-17(22)7-3-8-18(21)9-5-10-20(15-18)14-16-6-4-13-23-16/h4,6,13H,3,5,7-12,14-15H2,1-2H3
InChIKeyYKRHNFJTSOWWDU-UHFFFAOYSA-N
XLogP2.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylthiophen-3-yl)-methanone
CID 11624178
2-Butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
CID 118662183
N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
1-(Phenylacetyl)-4-(2-thienylcarbonyl)piperazine
CID 650106
1-(4-Methylpiperazin-1-yl)-4-(thiophen-2-yl)butan-1-one
CID 60634783
3-Cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 717199
Cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 2818006
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)cyclohexanecarboxamide
CID 5310190
N-methyl-N-[(2-methyl-1,2,3,4-tetrahydro-3-isoquinolinyl)methyl]-2-(2-thienyl)acetamide
CID 70739835
1-[4-(1-Methylpiperidin-3-yl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one
CID 71976315
8-(3-methylbutyl)-9-oxo-N-(2-thienylmethyl)-2,8-diazaspiro[5.5]undecane-2-carboxamide
CID 72906235
9-[(5-Methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one
CID 97370782

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one (CID 118745563) is 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one is CN(C)CCN1C(=O)CCCC12CCCN(Cc1cccs1)C2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is YKRHNFJTSOWWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-19(2)11-12-21-17(22)7-3-8-18(21)9-5-10-20(15-18)14-16-6-4-13-23-16/h4,6,13H,3,5,7-12,14-15H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one?
1-[2-(dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 335.52 g/mol, XLogP of 2.66, 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[5.5]undecan-2-one is sourced from PubChem (CID 118745563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).