[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone

C13H18N2OS — CID 124554551

IUPAC[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC[C@]2(CCNC2)C1
InChIInChI=1S/C13H18N2OS/c16-12(11-3-1-8-17-11)15-7-2-4-13(10-15)5-6-14-9-13/h1,3,8,14H,2,4-7,9-10H2/t13-/m1/s1
InChIKeyLYIDTNGQPGOVNM-CYBMUJFWSA-N
MW250.37 g/mol
LogP1.96
Rot. Bonds1

About [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone

[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone (PubChem CID 124554551) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
PubChem CID124554551
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC[C@]2(CCNC2)C1
InChIInChI=1S/C13H18N2OS/c16-12(11-3-1-8-17-11)15-7-2-4-13(10-15)5-6-14-9-13/h1,3,8,14H,2,4-7,9-10H2/t13-/m1/s1
InChIKeyLYIDTNGQPGOVNM-CYBMUJFWSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone
CID 114031315
(2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 125443768
[4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 63141844
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
[(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 97450106
2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone
CID 102849563
2,8-diazaspiro[5.5]undecan-2-yl-(3-methoxythiophen-2-yl)methanone
CID 82038139
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 122269158
3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731719
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
[(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 97370418

Frequently Asked Questions

What is the IUPAC name of [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone (CID 124554551) is [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC[C@]2(CCNC2)C1.
What is the InChIKey of [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone?
The InChIKey is LYIDTNGQPGOVNM-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N2OS/c16-12(11-3-1-8-17-11)15-7-2-4-13(10-15)5-6-14-9-13/h1,3,8,14H,2,4-7,9-10H2/t13-/m1/s1.
What are the key properties of [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone?
[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone has a molecular weight of 250.37 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 124554551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).