2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C15H18N2OS — CID 107749225

IUPAC2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1OCCC1Sc1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C15H18N2OS/c1-10-14(6-7-18-10)19-15-12(9-16)8-11-4-2-3-5-13(11)17-15/h8,10,14H,2-7H2,1H3
InChIKeyDICAPYVLVZINFK-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.10
Rot. Bonds2

About 2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 107749225) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID107749225
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1OCCC1Sc1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C15H18N2OS/c1-10-14(6-7-18-10)19-15-12(9-16)8-11-4-2-3-5-13(11)17-15/h8,10,14H,2-7H2,1H3
InChIKeyDICAPYVLVZINFK-UHFFFAOYSA-N
XLogP3.10
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 107749225) is 2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC1OCCC1Sc1nc2c(cc1C#N)CCCC2.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is DICAPYVLVZINFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-14(6-7-18-10)19-15-12(9-16)8-11-4-2-3-5-13(11)17-15/h8,10,14H,2-7H2,1H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 274.39 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 107749225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).