2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide

C14H23N3O2S — CID 134595685

IUPAC2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2nc(C(C)(C)C)ccc2C1
InChIInChI=1S/C14H23N3O2S/c1-14(2,3)13-7-6-11-10-17(9-8-12(11)15-13)20(18,19)16(4)5/h6-7H,8-10H2,1-5H3
InChIKeyZBVIADPKRHZEFA-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.54
Rot. Bonds2

About 2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide

2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide (PubChem CID 134595685) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide.

Molecular Properties

Compound Name2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide
PubChem CID134595685
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2nc(C(C)(C)C)ccc2C1
InChIInChI=1S/C14H23N3O2S/c1-14(2,3)13-7-6-11-10-17(9-8-12(11)15-13)20(18,19)16(4)5/h6-7H,8-10H2,1-5H3
InChIKeyZBVIADPKRHZEFA-UHFFFAOYSA-N
XLogP1.54
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide?
The IUPAC name of 2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide (CID 134595685) is 2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide.
What is the SMILES notation for 2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide?
The canonical SMILES for 2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide is CN(C)S(=O)(=O)N1CCc2nc(C(C)(C)C)ccc2C1.
What is the InChIKey of 2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide?
The InChIKey is ZBVIADPKRHZEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-14(2,3)13-7-6-11-10-17(9-8-12(11)15-13)20(18,19)16(4)5/h6-7H,8-10H2,1-5H3.
What are the key properties of 2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide?
2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide is sourced from PubChem (CID 134595685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).