(R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide

C13H20ClNOS — CID 162452443

IUPAC(R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1c(Cl)cccc1[C@@H](C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C13H20ClNOS/c1-9-11(7-6-8-12(9)14)10(2)15-17(16)13(3,4)5/h6-8,10,15H,1-5H3/t10-,17-/m1/s1
InChIKeyMUQZLPOXASGNDT-BMLIUANNSA-N
MW273.83 g/mol
LogP3.76
Rot. Bonds3

About (R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 162452443) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID162452443
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name(R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1c(Cl)cccc1[C@@H](C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C13H20ClNOS/c1-9-11(7-6-8-12(9)14)10(2)15-17(16)13(3,4)5/h6-8,10,15H,1-5H3/t10-,17-/m1/s1
InChIKeyMUQZLPOXASGNDT-BMLIUANNSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-N-[1-(2-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 172536184
N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 134585706
(R)-N-[(1S)-1-(2,8-dichloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 87146010
(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 96656380
(R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide
CID 140937180
N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 167264738
N-[(1R)-1-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 170428484
N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 121362441
(R)-N-[(1S)-1-(2,3-dihydro-1H-indol-4-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 172908301
N-[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
CID 172524574
(R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 167525979
2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide
CID 146665041

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 162452443) is (R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide is Cc1c(Cl)cccc1[C@@H](C)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is MUQZLPOXASGNDT-BMLIUANNSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-9-11(7-6-8-12(9)14)10(2)15-17(16)13(3,4)5/h6-8,10,15H,1-5H3/t10-,17-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 273.83 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 162452443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).