(R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide

C13H16Cl2N2OS — CID 167525979

IUPAC(R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)NC(CC#N)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N2OS/c1-13(2,3)19(18)17-11(7-8-16)9-5-4-6-10(14)12(9)15/h4-6,11,17H,7H2,1-3H3/t11?,19-/m1/s1
InChIKeyURNOBPQHRKJJLL-IMFVZPHKSA-N
MW319.26 g/mol
LogP4.00
Rot. Bonds4

About (R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 167525979) has the molecular formula C13H16Cl2N2OS and a molecular weight of 319.26 g/mol. Its IUPAC name is (R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID167525979
Molecular FormulaC13H16Cl2N2OS
Molecular Weight319.26 g/mol
Exact Mass318.04
IUPAC Name(R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)NC(CC#N)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N2OS/c1-13(2,3)19(18)17-11(7-8-16)9-5-4-6-10(14)12(9)15/h4-6,11,17H,7H2,1-3H3/t11?,19-/m1/s1
InChIKeyURNOBPQHRKJJLL-IMFVZPHKSA-N
XLogP4.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide
CID 134307299
N-[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
CID 172524574
(R)-N-[(1S)-2-cyano-1-(5-fluoro-2-hydroxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 135201901
3-(2,3-dichlorophenyl)butanenitrile
CID 83639930
(R)-N-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 162452443
2-(2,3-dichlorophenyl)butanenitrile
CID 89480048
(R)-N-[1-(2-chloro-3-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 172536184
N-[(1S)-1-(2-chlorophenyl)-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 102333980
(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 99646735
2-(2,3-dichlorophenyl)propanenitrile
CID 69268424
(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 94343262
1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115850050

Frequently Asked Questions

What is the IUPAC name of (R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 167525979) is (R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)NC(CC#N)c1cccc(Cl)c1Cl.
What is the InChIKey of (R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is URNOBPQHRKJJLL-IMFVZPHKSA-N. The full InChI is InChI=1S/C13H16Cl2N2OS/c1-13(2,3)19(18)17-11(7-8-16)9-5-4-6-10(14)12(9)15/h4-6,11,17H,7H2,1-3H3/t11?,19-/m1/s1.
What are the key properties of (R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 319.26 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[2-cyano-1-(2,3-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 167525979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).