N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide

C17H25N3O2S — CID 154702021

IUPACN-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide
SMILESCCCc1c(NS(C)(=O)=O)nc2ccccc2c1NC(C)(C)C
InChIInChI=1S/C17H25N3O2S/c1-6-9-13-15(19-17(2,3)4)12-10-7-8-11-14(12)18-16(13)20-23(5,21)22/h7-8,10-11H,6,9H2,1-5H3,(H2,18,19,20)
InChIKeyHCNUSZJDVNIBAZ-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.77
Rot. Bonds5

About N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide

N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide (PubChem CID 154702021) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide
PubChem CID154702021
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide
SMILESCCCc1c(NS(C)(=O)=O)nc2ccccc2c1NC(C)(C)C
InChIInChI=1S/C17H25N3O2S/c1-6-9-13-15(19-17(2,3)4)12-10-7-8-11-14(12)18-16(13)20-23(5,21)22/h7-8,10-11H,6,9H2,1-5H3,(H2,18,19,20)
InChIKeyHCNUSZJDVNIBAZ-UHFFFAOYSA-N
XLogP3.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide?
The IUPAC name of N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide (CID 154702021) is N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide is CCCc1c(NS(C)(=O)=O)nc2ccccc2c1NC(C)(C)C.
What is the InChIKey of N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide?
The InChIKey is HCNUSZJDVNIBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-6-9-13-15(19-17(2,3)4)12-10-7-8-11-14(12)18-16(13)20-23(5,21)22/h7-8,10-11H,6,9H2,1-5H3,(H2,18,19,20).
What are the key properties of N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide?
N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide is sourced from PubChem (CID 154702021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).