2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine

C14H22ClNOS — CID 64658469

IUPAC2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)S(=O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNOS/c1-4-10-16-13(5-2)11(3)18(17)14-9-7-6-8-12(14)15/h6-9,11,13,16H,4-5,10H2,1-3H3
InChIKeyJPCFUFQDVKRYNG-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.61
Rot. Bonds7

About 2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine

2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine (PubChem CID 64658469) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine
PubChem CID64658469
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)S(=O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNOS/c1-4-10-16-13(5-2)11(3)18(17)14-9-7-6-8-12(14)15/h6-9,11,13,16H,4-5,10H2,1-3H3
InChIKeyJPCFUFQDVKRYNG-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64659442
2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine
CID 103290329
N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine
CID 64656582
3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine
CID 64658856
1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine
CID 63526507
2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine
CID 64660228
3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine
CID 64655566
2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64658274
N-methyl-2-(2-nitrophenyl)sulfinylpentan-3-amine
CID 64653936
2-(2-fluorophenyl)-N-propylpentan-3-amine
CID 79308291
2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010
3-(4-propan-2-ylphenyl)sulfinyl-N-propylbutan-2-amine
CID 64659532

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine?
The IUPAC name of 2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine (CID 64658469) is 2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine?
The canonical SMILES for 2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine is CCCNC(CC)C(C)S(=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine?
The InChIKey is JPCFUFQDVKRYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-4-10-16-13(5-2)11(3)18(17)14-9-7-6-8-12(14)15/h6-9,11,13,16H,4-5,10H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine?
2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine has a molecular weight of 287.86 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine is sourced from PubChem (CID 64658469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).