[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone

C17H27N3OS — CID 131687415

IUPAC[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
SMILESCN(C)CCN1CCCC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C17H27N3OS/c1-18(2)12-13-20-9-4-6-17(20)7-10-19(11-8-17)16(21)15-5-3-14-22-15/h3,5,14H,4,6-13H2,1-2H3
InChIKeyFGQGKXSNPXNXHS-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.38
Rot. Bonds4

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

[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone (PubChem CID 131687415) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
PubChem CID131687415
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
SMILESCN(C)CCN1CCCC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C17H27N3OS/c1-18(2)12-13-20-9-4-6-17(20)7-10-19(11-8-17)16(21)15-5-3-14-22-15/h3,5,14H,4,6-13H2,1-2H3
InChIKeyFGQGKXSNPXNXHS-UHFFFAOYSA-N
XLogP2.38
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone
CID 131687181
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 63125245
[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone
CID 134074079
(5R)-2-(2-methoxyethyl)-9-(thiophene-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897395
1-[2-(dimethylamino)ethyl]-7-(thiophene-2-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one;2,2,2-trifluoroacetic acid
CID 118743253
2-methoxy-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97370699
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 119689025
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone (CID 131687415) is [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone is CN(C)CCN1CCCC12CCN(C(=O)c1cccs1)CC2.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone?
The InChIKey is FGQGKXSNPXNXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-18(2)12-13-20-9-4-6-17(20)7-10-19(11-8-17)16(21)15-5-3-14-22-15/h3,5,14H,4,6-13H2,1-2H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone?
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone has a molecular weight of 321.49 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 131687415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).