N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide

C15H19ClN2OS — CID 154591603

IUPACN-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cc2ccccc2nc1Cl
InChIInChI=1S/C15H19ClN2OS/c1-10(18-20(19)15(2,3)4)12-9-11-7-5-6-8-13(11)17-14(12)16/h5-10,18H,1-4H3
InChIKeyKJTFNSYBLUBHKE-UHFFFAOYSA-N
MW310.85 g/mol
LogP4.00
Rot. Bonds3

About N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide

N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 154591603) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID154591603
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cc2ccccc2nc1Cl
InChIInChI=1S/C15H19ClN2OS/c1-10(18-20(19)15(2,3)4)12-9-11-7-5-6-8-13(11)17-14(12)16/h5-10,18H,1-4H3
InChIKeyKJTFNSYBLUBHKE-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide (CID 154591603) is N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide is CC(NS(=O)C(C)(C)C)c1cc2ccccc2nc1Cl.
What is the InChIKey of N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is KJTFNSYBLUBHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-10(18-20(19)15(2,3)4)12-9-11-7-5-6-8-13(11)17-14(12)16/h5-10,18H,1-4H3.
What are the key properties of N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 310.85 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 154591603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).