6-(3-methoxyphenyl)sulfinylhexan-3-amine

C13H21NO2S — CID 106807932

IUPAC6-(3-methoxyphenyl)sulfinylhexan-3-amine
SMILESCCC(N)CCCS(=O)c1cccc(OC)c1
InChIInChI=1S/C13H21NO2S/c1-3-11(14)6-5-9-17(15)13-8-4-7-12(10-13)16-2/h4,7-8,10-11H,3,5-6,9,14H2,1-2H3
InChIKeyRJPRHXDUVNGWCG-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.32
Rot. Bonds7

About 6-(3-methoxyphenyl)sulfinylhexan-3-amine

6-(3-methoxyphenyl)sulfinylhexan-3-amine (PubChem CID 106807932) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)sulfinylhexan-3-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)sulfinylhexan-3-amine
PubChem CID106807932
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name6-(3-methoxyphenyl)sulfinylhexan-3-amine
SMILESCCC(N)CCCS(=O)c1cccc(OC)c1
InChIInChI=1S/C13H21NO2S/c1-3-11(14)6-5-9-17(15)13-8-4-7-12(10-13)16-2/h4,7-8,10-11H,3,5-6,9,14H2,1-2H3
InChIKeyRJPRHXDUVNGWCG-UHFFFAOYSA-N
XLogP2.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)sulfinylhexan-3-amine?
The IUPAC name of 6-(3-methoxyphenyl)sulfinylhexan-3-amine (CID 106807932) is 6-(3-methoxyphenyl)sulfinylhexan-3-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)sulfinylhexan-3-amine?
The canonical SMILES for 6-(3-methoxyphenyl)sulfinylhexan-3-amine is CCC(N)CCCS(=O)c1cccc(OC)c1.
What is the InChIKey of 6-(3-methoxyphenyl)sulfinylhexan-3-amine?
The InChIKey is RJPRHXDUVNGWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-11(14)6-5-9-17(15)13-8-4-7-12(10-13)16-2/h4,7-8,10-11H,3,5-6,9,14H2,1-2H3.
What are the key properties of 6-(3-methoxyphenyl)sulfinylhexan-3-amine?
6-(3-methoxyphenyl)sulfinylhexan-3-amine has a molecular weight of 255.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)sulfinylhexan-3-amine is sourced from PubChem (CID 106807932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).