2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide

C15H20N2OS — CID 57431929

IUPAC2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cnc2ccccc2c1
InChIInChI=1S/C15H20N2OS/c1-11(17-19(18)15(2,3)4)13-9-12-7-5-6-8-14(12)16-10-13/h5-11,17H,1-4H3
InChIKeyRBWZOUMDPRRRNB-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.35
Rot. Bonds3

About 2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide

2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide (PubChem CID 57431929) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
PubChem CID57431929
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cnc2ccccc2c1
InChIInChI=1S/C15H20N2OS/c1-11(17-19(18)15(2,3)4)13-9-12-7-5-6-8-14(12)16-10-13/h5-11,17H,1-4H3
InChIKeyRBWZOUMDPRRRNB-UHFFFAOYSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide (CID 57431929) is 2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide is CC(NS(=O)C(C)(C)C)c1cnc2ccccc2c1.
What is the InChIKey of 2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide?
The InChIKey is RBWZOUMDPRRRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(17-19(18)15(2,3)4)13-9-12-7-5-6-8-14(12)16-10-13/h5-11,17H,1-4H3.
What are the key properties of 2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide?
2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide has a molecular weight of 276.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide is sourced from PubChem (CID 57431929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).