3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine

C13H17Cl2NO2S — CID 64659098

IUPAC3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1S(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO2S/c1-2-16-11-5-6-18-8-13(11)19(17)12-7-9(14)3-4-10(12)15/h3-4,7,11,13,16H,2,5-6,8H2,1H3
InChIKeyNKGMSNTULOJCLX-UHFFFAOYSA-N
MW322.26 g/mol
LogP2.87
Rot. Bonds4

About 3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine

3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine (PubChem CID 64659098) has the molecular formula C13H17Cl2NO2S and a molecular weight of 322.26 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine
PubChem CID64659098
Molecular FormulaC13H17Cl2NO2S
Molecular Weight322.26 g/mol
Exact Mass321.04
IUPAC Name3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1S(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO2S/c1-2-16-11-5-6-18-8-13(11)19(17)12-7-9(14)3-4-10(12)15/h3-4,7,11,13,16H,2,5-6,8H2,1H3
InChIKeyNKGMSNTULOJCLX-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dichlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64657339
2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64657347
3-(2-bromophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64652646
3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine
CID 114792190
N-ethyl-3-(4-fluorophenyl)sulfinyloxan-4-amine
CID 64658485
3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64658377
3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64653449
3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716958
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177537
3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine
CID 64652009
N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine
CID 107759484

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine (CID 64659098) is 3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine is CCNC1CCOCC1S(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine?
The InChIKey is NKGMSNTULOJCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2S/c1-2-16-11-5-6-18-8-13(11)19(17)12-7-9(14)3-4-10(12)15/h3-4,7,11,13,16H,2,5-6,8H2,1H3.
What are the key properties of 3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine?
3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine has a molecular weight of 322.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine is sourced from PubChem (CID 64659098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).