3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one

C15H20ClN3O2S — CID 86286583

IUPAC3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCN1CCCNC(=O)C12CCN(C(=O)c1ccc(Cl)s1)CC2
InChIInChI=1S/C15H20ClN3O2S/c1-18-8-2-7-17-14(21)15(18)5-9-19(10-6-15)13(20)11-3-4-12(16)22-11/h3-4H,2,5-10H2,1H3,(H,17,21)
InChIKeyFYNCYDVKDFIMPN-UHFFFAOYSA-N
MW341.86 g/mol
LogP1.83
Rot. Bonds1

About 3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one

3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one (PubChem CID 86286583) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one.

Molecular Properties

Compound Name3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
PubChem CID86286583
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCN1CCCNC(=O)C12CCN(C(=O)c1ccc(Cl)s1)CC2
InChIInChI=1S/C15H20ClN3O2S/c1-18-8-2-7-17-14(21)15(18)5-9-19(10-6-15)13(20)11-3-4-12(16)22-11/h3-4H,2,5-10H2,1H3,(H,17,21)
InChIKeyFYNCYDVKDFIMPN-UHFFFAOYSA-N
XLogP1.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1246546
5-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 25161511
(5-Chlorothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467948
5-chloro-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 45236630
[1-(5-Chlorothiophene-2-carbonyl)piperidin-2-yl]methylurea
CID 53607981
4-(5-Chlorothiophene-2-carbonyl)-3,3-dimethylpiperazin-2-one
CID 16863779
4-(5-Chlorothiophene-2-carbonyl)-3-methylpiperazin-2-one
CID 44116482
5-chloro-N-((1-(methylsulfonyl)piperidin-4-yl)methyl)thiophene-2-carboxamide
CID 49688236
Methyl 4-((5-chlorothiophene-2-carboxamido)methyl)piperidine-1-carboxylate
CID 49688751
1-Methyl-4-(2-thienylcarbonyl)-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72843264
3-[4-(5-Chlorothiophene-2-carbonyl)-1,4-diazepan-1-YL]-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 87054762
3-[4-(5-Chlorothiophene-2-carbonyl)piperazin-1-YL]-1-(3-methylbutyl)pyrrolidin-2-one
CID 91925899

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The IUPAC name of 3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one (CID 86286583) is 3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one.
What is the SMILES notation for 3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The canonical SMILES for 3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one is CN1CCCNC(=O)C12CCN(C(=O)c1ccc(Cl)s1)CC2.
What is the InChIKey of 3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The InChIKey is FYNCYDVKDFIMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-18-8-2-7-17-14(21)15(18)5-9-19(10-6-15)13(20)11-3-4-12(16)22-11/h3-4H,2,5-10H2,1H3,(H,17,21).
What are the key properties of 3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one has a molecular weight of 341.86 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophene-2-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one is sourced from PubChem (CID 86286583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).