(6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C18H24N4OS — CID 97492189

IUPAC(6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1ccc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)s1
InChIInChI=1S/C18H24N4OS/c1-15-3-4-16(24-15)12-21-9-10-23-18(13-21)5-2-8-22(14-18)17-11-19-6-7-20-17/h3-4,6-7,11H,2,5,8-10,12-14H2,1H3/t18-/m1/s1
InChIKeyZEPFGQPEFSUTBG-GOSISDBHSA-N
MW344.48 g/mol
LogP2.72
Rot. Bonds3

About (6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

(6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 97492189) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID97492189
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1ccc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)s1
InChIInChI=1S/C18H24N4OS/c1-15-3-4-16(24-15)12-21-9-10-23-18(13-21)5-2-8-22(14-18)17-11-19-6-7-20-17/h3-4,6-7,11H,2,5,8-10,12-14H2,1H3/t18-/m1/s1
InChIKeyZEPFGQPEFSUTBG-GOSISDBHSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171672882
8-(6-methylpyridazin-3-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131660482
(6S)-8-pyrazin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372434
(6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372423
(6S)-4-[(6-methyl-2-pyridinyl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396498
(6S)-8-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372432
8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118746429
(6S)-8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372435
(6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372362
(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396496
1-[(6R)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 97372389
8-pyrazin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171693195

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of (6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 97492189) is (6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1ccc(CN2CCO[C@]3(CCCN(c4cnccn4)C3)C2)s1.
What is the InChIKey of (6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is ZEPFGQPEFSUTBG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-15-3-4-16(24-15)12-21-9-10-23-18(13-21)5-2-8-22(14-18)17-11-19-6-7-20-17/h3-4,6-7,11H,2,5,8-10,12-14H2,1H3/t18-/m1/s1.
What are the key properties of (6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
(6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 344.48 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 97492189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).