(5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane

C20H27N3S — CID 97370344

IUPAC(5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESCc1ccc(CN2CC[C@]3(CCCN(Cc4ccccn4)C3)C2)s1
InChIInChI=1S/C20H27N3S/c1-17-6-7-19(24-17)14-23-12-9-20(16-23)8-4-11-22(15-20)13-18-5-2-3-10-21-18/h2-3,5-7,10H,4,8-9,11-16H2,1H3/t20-/m0/s1
InChIKeyLYCVYMUENSUMOH-FQEVSTJZSA-N
MW341.52 g/mol
LogP3.94
Rot. Bonds4

About (5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane

(5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 97370344) has the molecular formula C20H27N3S and a molecular weight of 341.52 g/mol. Its IUPAC name is (5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
PubChem CID97370344
Molecular FormulaC20H27N3S
Molecular Weight341.52 g/mol
Exact Mass341.19
IUPAC Name(5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESCc1ccc(CN2CC[C@]3(CCCN(Cc4ccccn4)C3)C2)s1
InChIInChI=1S/C20H27N3S/c1-17-6-7-19(24-17)14-23-12-9-20(16-23)8-4-11-22(15-20)13-18-5-2-3-10-21-18/h2-3,5-7,10H,4,8-9,11-16H2,1H3/t20-/m0/s1
InChIKeyLYCVYMUENSUMOH-FQEVSTJZSA-N
XLogP3.94
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
(5R)-2-[(1-methylimidazol-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97450006
2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131652843
(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 97450038
2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 131651444
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206
morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450463
(5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483578
10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131658072
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
9-cyclopropylsulfonyl-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 97450461

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane (CID 97370344) is (5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane is Cc1ccc(CN2CC[C@]3(CCCN(Cc4ccccn4)C3)C2)s1.
What is the InChIKey of (5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is LYCVYMUENSUMOH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N3S/c1-17-6-7-19(24-17)14-23-12-9-20(16-23)8-4-11-22(15-20)13-18-5-2-3-10-21-18/h2-3,5-7,10H,4,8-9,11-16H2,1H3/t20-/m0/s1.
What are the key properties of (5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane?
(5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 341.52 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97370344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).