10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

C19H25N3OS — CID 131658072

IUPAC10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1ccc(CN2CCOCC3(CCN(c4ccccn4)C3)C2)s1
InChIInChI=1S/C19H25N3OS/c1-16-5-6-17(24-16)12-21-10-11-23-15-19(13-21)7-9-22(14-19)18-4-2-3-8-20-18/h2-6,8H,7,9-15H2,1H3
InChIKeyRNBRFSVBWVBMBL-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.18
Rot. Bonds3

About 10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane

10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 131658072) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID131658072
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1ccc(CN2CCOCC3(CCN(c4ccccn4)C3)C2)s1
InChIInChI=1S/C19H25N3OS/c1-16-5-6-17(24-16)12-21-10-11-23-15-19(13-21)7-9-22(14-19)18-4-2-3-8-20-18/h2-6,8H,7,9-15H2,1H3
InChIKeyRNBRFSVBWVBMBL-UHFFFAOYSA-N
XLogP3.18
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane with MolForge

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Related Compounds

(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472267
(5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384999
(5R)-10-(cyclopropylmethyl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385017
6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane
CID 131652689
(5R)-6,6-difluoro-9-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane
CID 97374411
(5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472274
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134072920
(5S)-2-pyrimidin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472314
(5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97370344
2-(6-methylpyridazin-3-yl)-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640700
(5S)-10-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472200

Frequently Asked Questions

What is the IUPAC name of 10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 131658072) is 10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is Cc1ccc(CN2CCOCC3(CCN(c4ccccn4)C3)C2)s1.
What is the InChIKey of 10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is RNBRFSVBWVBMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-16-5-6-17(24-16)12-21-10-11-23-15-19(13-21)7-9-22(14-19)18-4-2-3-8-20-18/h2-6,8H,7,9-15H2,1H3.
What are the key properties of 10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane?
10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 343.50 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 131658072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).