2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine

C14H20ClNO2S — CID 104754280

IUPAC2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CS(=O)c1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C14H20ClNO2S/c1-2-16-14(11-6-7-18-9-11)10-19(17)13-5-3-4-12(15)8-13/h3-5,8,11,14,16H,2,6-7,9-10H2,1H3
InChIKeyAPIDHVDVYDSZET-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.46
Rot. Bonds6

About 2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine

2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104754280) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine
PubChem CID104754280
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CS(=O)c1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C14H20ClNO2S/c1-2-16-14(11-6-7-18-9-11)10-19(17)13-5-3-4-12(15)8-13/h3-5,8,11,14,16H,2,6-7,9-10H2,1H3
InChIKeyAPIDHVDVYDSZET-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine
CID 104754394
2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 62503594
N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754287
2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 63045973
1-(3-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658378
2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754077
3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64658377
N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276511
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626
2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104755861
N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine
CID 113449399
2-(4-bromophenyl)sulfinyl-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104754586

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine (CID 104754280) is 2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine is CCNC(CS(=O)c1cccc(Cl)c1)C1CCOC1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is APIDHVDVYDSZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-2-16-14(11-6-7-18-9-11)10-19(17)13-5-3-4-12(15)8-13/h3-5,8,11,14,16H,2,6-7,9-10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine?
2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 301.84 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104754280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).