3-(3-chlorophenyl)sulfinyloxan-4-amine

C11H14ClNO2S — CID 64658960

IUPAC3-(3-chlorophenyl)sulfinyloxan-4-amine
SMILESNC1CCOCC1S(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2S/c12-8-2-1-3-9(6-8)16(14)11-7-15-5-4-10(11)13/h1-3,6,10-11H,4-5,7,13H2
InChIKeyONABFRSRIVZMNR-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.56
Rot. Bonds2

About 3-(3-chlorophenyl)sulfinyloxan-4-amine

3-(3-chlorophenyl)sulfinyloxan-4-amine (PubChem CID 64658960) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfinyloxan-4-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfinyloxan-4-amine
PubChem CID64658960
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name3-(3-chlorophenyl)sulfinyloxan-4-amine
SMILESNC1CCOCC1S(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2S/c12-8-2-1-3-9(6-8)16(14)11-7-15-5-4-10(11)13/h1-3,6,10-11H,4-5,7,13H2
InChIKeyONABFRSRIVZMNR-UHFFFAOYSA-N
XLogP1.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfinyloxan-4-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfinyloxan-4-amine (CID 64658960) is 3-(3-chlorophenyl)sulfinyloxan-4-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfinyloxan-4-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfinyloxan-4-amine is NC1CCOCC1S(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfinyloxan-4-amine?
The InChIKey is ONABFRSRIVZMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-8-2-1-3-9(6-8)16(14)11-7-15-5-4-10(11)13/h1-3,6,10-11H,4-5,7,13H2.
What are the key properties of 3-(3-chlorophenyl)sulfinyloxan-4-amine?
3-(3-chlorophenyl)sulfinyloxan-4-amine has a molecular weight of 259.76 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfinyloxan-4-amine is sourced from PubChem (CID 64658960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).