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

C15H20N2OS — CID 170836453

IUPAC(R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
SMILESCC(N[S@](=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/t11?,19-/m1/s1
InChIKeyRBWZOUMDPRRRNB-IMFVZPHKSA-N
MW276.40 g/mol
LogP3.35
Rot. Bonds3

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

(R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide (PubChem CID 170836453) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is (R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
PubChem CID170836453
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name(R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
SMILESCC(N[S@](=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/t11?,19-/m1/s1
InChIKeyRBWZOUMDPRRRNB-IMFVZPHKSA-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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Related Compounds

2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
CID 57431929
N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 154591603
N-[(1R)-1-(3-chloroisoquinolin-6-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 129107018
3-(4-chloropentan-2-yl)quinoline
CID 64721460
2,2-dimethyl-1-quinolin-3-ylpropan-1-ol
CID 60924299
(R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane
CID 159800437
(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
CID 121397426
2-methyl-N-[(1R)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512780
2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide
CID 154591461
(R)-2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide
CID 151330065
2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide
CID 165146618
(S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide
CID 163967880

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide (CID 170836453) is (R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide is CC(N[S@](=O)C(C)(C)C)c1cnc2ccccc2c1.
What is the InChIKey of (R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide?
The InChIKey is RBWZOUMDPRRRNB-IMFVZPHKSA-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/t11?,19-/m1/s1.
What are the key properties of (R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide?
(R)-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 (R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide is sourced from PubChem (CID 170836453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).