3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine

C14H19F2NO2S — CID 64653449

IUPAC3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1S(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO2S/c1-2-6-17-12-5-7-19-9-14(12)20(18)13-4-3-10(15)8-11(13)16/h3-4,8,12,14,17H,2,5-7,9H2,1H3
InChIKeyNKBHQDNXKYYPQC-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.23
Rot. Bonds5

About 3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine

3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine (PubChem CID 64653449) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine
PubChem CID64653449
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC Name3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1S(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO2S/c1-2-6-17-12-5-7-19-9-14(12)20(18)13-4-3-10(15)8-11(13)16/h3-4,8,12,14,17H,2,5-7,9H2,1H3
InChIKeyNKBHQDNXKYYPQC-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluorophenyl)sulfinyl-N-methyloxan-4-amine
CID 64652009
2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
CID 64651180
3-(2,5-dichlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64657339
2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64652067
N-ethyl-3-(4-fluorophenyl)sulfinyloxan-4-amine
CID 64658485
3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64658377
3-(2,5-dichlorophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64659098
3-cyclopentylsulfinyl-N-propyloxan-4-amine
CID 64657061
3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64717172
3-(2-bromophenyl)sulfinyl-N-ethyloxan-4-amine
CID 64652646
2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64659067
4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657752

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine?
The IUPAC name of 3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine (CID 64653449) is 3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine is CCCNC1CCOCC1S(=O)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine?
The InChIKey is NKBHQDNXKYYPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-2-6-17-12-5-7-19-9-14(12)20(18)13-4-3-10(15)8-11(13)16/h3-4,8,12,14,17H,2,5-7,9H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine?
3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine has a molecular weight of 303.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine is sourced from PubChem (CID 64653449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).