(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine

C13H20ClNO2S — CID 106724080

IUPAC(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
SMILESCCCS(=O)(=O)CCN[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2S/c1-3-9-18(16,17)10-8-15-11(2)12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3/t11-/m1/s1
InChIKeyFQNUSBHHALBWFK-LLVKDONJSA-N
MW289.83 g/mol
LogP2.82
Rot. Bonds7

About (1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine

(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine (PubChem CID 106724080) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
PubChem CID106724080
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC Name(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
SMILESCCCS(=O)(=O)CCN[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2S/c1-3-9-18(16,17)10-8-15-11(2)12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3/t11-/m1/s1
InChIKeyFQNUSBHHALBWFK-LLVKDONJSA-N
XLogP2.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996
(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
CID 81347805
4-chloro-N-(2-propylsulfonylethyl)aniline
CID 106513312
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103710433
1-(3,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780942
(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine
CID 102978164
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81356230
N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine
CID 60889323
(1R)-1-(4-chlorophenyl)-N-(2-ethoxyethyl)ethanamine
CID 81353277
N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide
CID 102676134
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propanoic acid
CID 81352269
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
CID 28714593

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine (CID 106724080) is (1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine is CCCS(=O)(=O)CCN[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine?
The InChIKey is FQNUSBHHALBWFK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20ClNO2S/c1-3-9-18(16,17)10-8-15-11(2)12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine?
(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine has a molecular weight of 289.83 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine is sourced from PubChem (CID 106724080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).