3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine

C14H20ClNO2S — CID 114792190

IUPAC3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1S(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-2-16-13-7-8-18-9-14(13)19(17)10-11-3-5-12(15)6-4-11/h3-6,13-14,16H,2,7-10H2,1H3
InChIKeyJCVOQSBPIZNOJA-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.36
Rot. Bonds5

About 3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine

3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine (PubChem CID 114792190) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine
PubChem CID114792190
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1S(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-2-16-13-7-8-18-9-14(13)19(17)10-11-3-5-12(15)6-4-11/h3-6,13-14,16H,2,7-10H2,1H3
InChIKeyJCVOQSBPIZNOJA-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64659098
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177537
5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 114792164
N-ethyl-3-(4-fluorophenyl)sulfinyloxan-4-amine
CID 64658485
2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine
CID 114792156
3-(2-bromophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64652646
3-(2,5-dichlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64657339
N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine
CID 107759484
3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64658377
2-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64657347
2-[(4-chlorophenyl)methylsulfinyl]-4-propan-2-ylcyclohexan-1-amine
CID 114792237
N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64658404

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine (CID 114792190) is 3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine is CCNC1CCOCC1S(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine?
The InChIKey is JCVOQSBPIZNOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-2-16-13-7-8-18-9-14(13)19(17)10-11-3-5-12(15)6-4-11/h3-6,13-14,16H,2,7-10H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine?
3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine has a molecular weight of 301.84 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine is sourced from PubChem (CID 114792190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).