2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one

C15H20N2O2S — CID 131680090

IUPAC2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESCN1CCC2(CCCN(C(=O)c3ccsc3)CC2)C1=O
InChIInChI=1S/C15H20N2O2S/c1-16-8-5-15(14(16)19)4-2-7-17(9-6-15)13(18)12-3-10-20-11-12/h3,10-11H,2,4-9H2,1H3
InChIKeySUHDLZXRBSGUIG-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.22
Rot. Bonds1

About 2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one

2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one (PubChem CID 131680090) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one.

Molecular Properties

Compound Name2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
PubChem CID131680090
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESCN1CCC2(CCCN(C(=O)c3ccsc3)CC2)C1=O
InChIInChI=1S/C15H20N2O2S/c1-16-8-5-15(14(16)19)4-2-7-17(9-6-15)13(18)12-3-10-20-11-12/h3,10-11H,2,4-9H2,1H3
InChIKeySUHDLZXRBSGUIG-UHFFFAOYSA-N
XLogP2.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 131680313
2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131680510
[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-thiophen-3-ylmethanone
CID 99972021
(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 115874944
8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688555
(5R)-3-methyl-13-pyrimidin-2-yl-9-(thiophene-3-carbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360396
2-methyl-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98895841
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
CID 71785102
(5R)-7-[(3-methoxyphenyl)methyl]-2-(thiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42511203
1-methyl-3-phenyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131659093
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(thiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42193574
[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 119297822

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The IUPAC name of 2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one (CID 131680090) is 2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one.
What is the SMILES notation for 2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The canonical SMILES for 2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one is CN1CCC2(CCCN(C(=O)c3ccsc3)CC2)C1=O.
What is the InChIKey of 2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The InChIKey is SUHDLZXRBSGUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-16-8-5-15(14(16)19)4-2-7-17(9-6-15)13(18)12-3-10-20-11-12/h3,10-11H,2,4-9H2,1H3.
What are the key properties of 2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one has a molecular weight of 292.40 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one is sourced from PubChem (CID 131680090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).