3-(3-bromophenyl)sulfinyloxan-4-amine

C11H14BrNO2S — CID 64659555

IUPAC3-(3-bromophenyl)sulfinyloxan-4-amine
SMILESNC1CCOCC1S(=O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO2S/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
InChIKeyVDGCLDZEIUYXSU-UHFFFAOYSA-N
MW304.21 g/mol
LogP1.67
Rot. Bonds2

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

3-(3-bromophenyl)sulfinyloxan-4-amine (PubChem CID 64659555) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 3-(3-bromophenyl)sulfinyloxan-4-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)sulfinyloxan-4-amine
PubChem CID64659555
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name3-(3-bromophenyl)sulfinyloxan-4-amine
SMILESNC1CCOCC1S(=O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO2S/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
InChIKeyVDGCLDZEIUYXSU-UHFFFAOYSA-N
XLogP1.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)sulfinyloxan-4-amine
CID 64658960
2-(3-bromophenyl)sulfinylcyclopentan-1-amine
CID 64659560
[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine
CID 81334124
3-(2-methoxyphenyl)sulfinyloxan-4-amine
CID 64659409
3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane
CID 167494047
3-(3-bromophenyl)oxolane
CID 66521315
3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine
CID 64723864
2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658968
2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 64657799
3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine
CID 64716545
2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64658970
3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64658377

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)sulfinyloxan-4-amine?
The IUPAC name of 3-(3-bromophenyl)sulfinyloxan-4-amine (CID 64659555) is 3-(3-bromophenyl)sulfinyloxan-4-amine.
What is the SMILES notation for 3-(3-bromophenyl)sulfinyloxan-4-amine?
The canonical SMILES for 3-(3-bromophenyl)sulfinyloxan-4-amine is NC1CCOCC1S(=O)c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)sulfinyloxan-4-amine?
The InChIKey is VDGCLDZEIUYXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/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-bromophenyl)sulfinyloxan-4-amine?
3-(3-bromophenyl)sulfinyloxan-4-amine has a molecular weight of 304.21 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)sulfinyloxan-4-amine is sourced from PubChem (CID 64659555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).