2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine

C15H24ClNOS — CID 103290329

IUPAC2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)S(=O)Cc1ccccc1Cl
InChIInChI=1S/C15H24ClNOS/c1-4-10-17-15(5-2)12(3)19(18)11-13-8-6-7-9-14(13)16/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyOMYDLYLURJSRTD-UHFFFAOYSA-N
MW301.88 g/mol
LogP3.76
Rot. Bonds8

About 2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine

2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine (PubChem CID 103290329) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine
PubChem CID103290329
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC Name2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)S(=O)Cc1ccccc1Cl
InChIInChI=1S/C15H24ClNOS/c1-4-10-17-15(5-2)12(3)19(18)11-13-8-6-7-9-14(13)16/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyOMYDLYLURJSRTD-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine
CID 64658469
1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine
CID 63526507
3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
CID 54897030
2-[(2-chlorophenyl)methylsulfinyl]propanenitrile
CID 103291281
1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine
CID 82986931
3-[(2-chlorophenyl)methylsulfanyl]-N-propylbutan-2-amine
CID 103291090
3-[(2-chlorophenyl)methylsulfinyl]-N-propan-2-ylpropan-1-amine
CID 103290393
2-pentylsulfinyl-N-propylpentan-3-amine
CID 107758770
N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 115801024
3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64659442
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
2-[(2-chlorophenyl)methylsulfinyl]-1-phenylbutan-1-amine
CID 103290454

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine (CID 103290329) is 2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine is CCCNC(CC)C(C)S(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine?
The InChIKey is OMYDLYLURJSRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-4-10-17-15(5-2)12(3)19(18)11-13-8-6-7-9-14(13)16/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine?
2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine has a molecular weight of 301.88 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine is sourced from PubChem (CID 103290329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).