2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine

C13H20N2OS — CID 145198086

IUPAC2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCS(=O)N1CCc2nc(C(C)(C)C)ccc2C1
InChIInChI=1S/C13H20N2OS/c1-13(2,3)12-6-5-10-9-15(17(4)16)8-7-11(10)14-12/h5-6H,7-9H2,1-4H3
InChIKeyYTGDUMXWUGCHSQ-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.03
Rot. Bonds1

About 2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine

2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 145198086) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID145198086
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCS(=O)N1CCc2nc(C(C)(C)C)ccc2C1
InChIInChI=1S/C13H20N2OS/c1-13(2,3)12-6-5-10-9-15(17(4)16)8-7-11(10)14-12/h5-6H,7-9H2,1-4H3
InChIKeyYTGDUMXWUGCHSQ-UHFFFAOYSA-N
XLogP2.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine
CID 165157964
2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide
CID 134595685
2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 159309526
2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 129100146
methyl N-[(2S)-1-(2-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 139573504
2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 90295532
7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 20655702
6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate
CID 163670046
2-methylsulfinyl-8-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 137382327
2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane]
CID 177283769
methyl 2-tert-butyl-7-methyl-6-(trifluoromethyl)-5,8-dihydro-1,7-naphthyridine-6-carboxylate
CID 71505453
6,22-ditert-butyl-2,5,23,26-tetrazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1,3(12),4(9),5,7,13,15,19(24),20,22,25-undecaene
CID 20587589

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine (CID 145198086) is 2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine is CS(=O)N1CCc2nc(C(C)(C)C)ccc2C1.
What is the InChIKey of 2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is YTGDUMXWUGCHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(2,3)12-6-5-10-9-15(17(4)16)8-7-11(10)14-12/h5-6H,7-9H2,1-4H3.
What are the key properties of 2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine?
2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 252.38 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 145198086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).