6-benzylsulfinylhexan-3-amine

C13H21NOS — CID 106807939

IUPAC6-benzylsulfinylhexan-3-amine
SMILESCCC(N)CCCS(=O)Cc1ccccc1
InChIInChI=1S/C13H21NOS/c1-2-13(14)9-6-10-16(15)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,14H2,1H3
InChIKeyKYKZSPGVXIBJSL-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.45
Rot. Bonds7

About 6-benzylsulfinylhexan-3-amine

6-benzylsulfinylhexan-3-amine (PubChem CID 106807939) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 6-benzylsulfinylhexan-3-amine.

Molecular Properties

Compound Name6-benzylsulfinylhexan-3-amine
PubChem CID106807939
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name6-benzylsulfinylhexan-3-amine
SMILESCCC(N)CCCS(=O)Cc1ccccc1
InChIInChI=1S/C13H21NOS/c1-2-13(14)9-6-10-16(15)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,14H2,1H3
InChIKeyKYKZSPGVXIBJSL-UHFFFAOYSA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-benzylsulfinyl-N-propylhexan-3-amine
CID 106807937
5-benzylsulfinylpentan-1-amine
CID 81329024
3-amino-5-benzylsulfinylpentanoic acid
CID 19431754
5-[(4-chlorophenyl)methylsulfinyl]pentan-2-amine
CID 114792170
N-(3-benzylsulfinylpropyl)-2-methylpropan-1-amine
CID 64660306
2-methylsulfinylethylsulfinylmethylbenzene
CID 139841382
7,7-diphenylheptan-3-amine
CID 21426298
6-(2-nitrophenyl)sulfinylhexan-3-amine
CID 106807986
ethane;ethylbenzene;hexan-3-amine
CID 143182014
3-phenylsulfanylpropylsulfinylmethylbenzene
CID 13182744
11-benzylsulfinylundecyl-tris(dimethylsilyloxy)silane
CID 170541726
6-(3-bromophenyl)sulfinylhexan-3-amine
CID 106807869

Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfinylhexan-3-amine?
The IUPAC name of 6-benzylsulfinylhexan-3-amine (CID 106807939) is 6-benzylsulfinylhexan-3-amine.
What is the SMILES notation for 6-benzylsulfinylhexan-3-amine?
The canonical SMILES for 6-benzylsulfinylhexan-3-amine is CCC(N)CCCS(=O)Cc1ccccc1.
What is the InChIKey of 6-benzylsulfinylhexan-3-amine?
The InChIKey is KYKZSPGVXIBJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-13(14)9-6-10-16(15)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,14H2,1H3.
What are the key properties of 6-benzylsulfinylhexan-3-amine?
6-benzylsulfinylhexan-3-amine has a molecular weight of 239.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfinylhexan-3-amine is sourced from PubChem (CID 106807939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).