N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine

C18H27N5O2S — CID 91953388

IUPACN-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine
SMILESCCCCS(=O)(=O)N1CCN(CCNc2cncc3cccnc23)CC1
InChIInChI=1S/C18H27N5O2S/c1-2-3-13-26(24,25)23-11-9-22(10-12-23)8-7-20-17-15-19-14-16-5-4-6-21-18(16)17/h4-6,14-15,20H,2-3,7-13H2,1H3
InChIKeyFZTJPYCZSOQILM-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.79
Rot. Bonds8

About N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine

N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine (PubChem CID 91953388) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine.

Molecular Properties

Compound NameN-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine
PubChem CID91953388
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine
SMILESCCCCS(=O)(=O)N1CCN(CCNc2cncc3cccnc23)CC1
InChIInChI=1S/C18H27N5O2S/c1-2-3-13-26(24,25)23-11-9-22(10-12-23)8-7-20-17-15-19-14-16-5-4-6-21-18(16)17/h4-6,14-15,20H,2-3,7-13H2,1H3
InChIKeyFZTJPYCZSOQILM-UHFFFAOYSA-N
XLogP1.79
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine?
The IUPAC name of N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine (CID 91953388) is N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine.
What is the SMILES notation for N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine?
The canonical SMILES for N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine is CCCCS(=O)(=O)N1CCN(CCNc2cncc3cccnc23)CC1.
What is the InChIKey of N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine?
The InChIKey is FZTJPYCZSOQILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-2-3-13-26(24,25)23-11-9-22(10-12-23)8-7-20-17-15-19-14-16-5-4-6-21-18(16)17/h4-6,14-15,20H,2-3,7-13H2,1H3.
What are the key properties of N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine?
N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine has a molecular weight of 377.51 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-1,6-naphthyridin-8-amine is sourced from PubChem (CID 91953388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).