N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine

C16H19N3O2S — CID 170324234

IUPACN-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)Cc1ccc(Nc2cc3c(cn2)CCNC3)cc1
InChIInChI=1S/C16H19N3O2S/c1-22(20,21)11-12-2-4-15(5-3-12)19-16-8-14-9-17-7-6-13(14)10-18-16/h2-5,8,10,17H,6-7,9,11H2,1H3,(H,18,19)
InChIKeyWMQSUKGRIODKAC-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.02
Rot. Bonds4

About N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine

N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine (PubChem CID 170324234) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine.

Molecular Properties

Compound NameN-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine
PubChem CID170324234
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)Cc1ccc(Nc2cc3c(cn2)CCNC3)cc1
InChIInChI=1S/C16H19N3O2S/c1-22(20,21)11-12-2-4-15(5-3-12)19-16-8-14-9-17-7-6-13(14)10-18-16/h2-5,8,10,17H,6-7,9,11H2,1H3,(H,18,19)
InChIKeyWMQSUKGRIODKAC-UHFFFAOYSA-N
XLogP2.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine?
The IUPAC name of N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine (CID 170324234) is N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine.
What is the SMILES notation for N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine?
The canonical SMILES for N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine is CS(=O)(=O)Cc1ccc(Nc2cc3c(cn2)CCNC3)cc1.
What is the InChIKey of N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine?
The InChIKey is WMQSUKGRIODKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-22(20,21)11-12-2-4-15(5-3-12)19-16-8-14-9-17-7-6-13(14)10-18-16/h2-5,8,10,17H,6-7,9,11H2,1H3,(H,18,19).
What are the key properties of N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine?
N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine has a molecular weight of 317.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine is sourced from PubChem (CID 170324234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).