2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline

C15H17NS — CID 58667206

IUPAC2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline
SMILESCc1nc2ccccc2cc1C1CSC[C@H]1C
InChIInChI=1S/C15H17NS/c1-10-8-17-9-14(10)13-7-12-5-3-4-6-15(12)16-11(13)2/h3-7,10,14H,8-9H2,1-2H3/t10-,14?/m1/s1
InChIKeyMVHQEXSVODXTKE-IAPIXIRKSA-N
MW243.38 g/mol
LogP4.01
Rot. Bonds1

About 2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline

2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline (PubChem CID 58667206) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline.

Molecular Properties

Compound Name2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline
PubChem CID58667206
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline
SMILESCc1nc2ccccc2cc1C1CSC[C@H]1C
InChIInChI=1S/C15H17NS/c1-10-8-17-9-14(10)13-7-12-5-3-4-6-15(12)16-11(13)2/h3-7,10,14H,8-9H2,1-2H3/t10-,14?/m1/s1
InChIKeyMVHQEXSVODXTKE-IAPIXIRKSA-N
XLogP4.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline?
The IUPAC name of 2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline (CID 58667206) is 2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline.
What is the SMILES notation for 2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline?
The canonical SMILES for 2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline is Cc1nc2ccccc2cc1C1CSC[C@H]1C.
What is the InChIKey of 2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline?
The InChIKey is MVHQEXSVODXTKE-IAPIXIRKSA-N. The full InChI is InChI=1S/C15H17NS/c1-10-8-17-9-14(10)13-7-12-5-3-4-6-15(12)16-11(13)2/h3-7,10,14H,8-9H2,1-2H3/t10-,14?/m1/s1.
What are the key properties of 2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline?
2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline has a molecular weight of 243.38 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4S)-4-methylthiolan-3-yl]quinoline is sourced from PubChem (CID 58667206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).