5-(4-methylphenyl)sulfonylpentan-2-amine

C12H19NO2S — CID 64639610

IUPAC5-(4-methylphenyl)sulfonylpentan-2-amine
SMILESCc1ccc(S(=O)(=O)CCCC(C)N)cc1
InChIInChI=1S/C12H19NO2S/c1-10-5-7-12(8-6-10)16(14,15)9-3-4-11(2)13/h5-8,11H,3-4,9,13H2,1-2H3
InChIKeyWENNZNYIXGUDRV-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.90
Rot. Bonds5

About 5-(4-methylphenyl)sulfonylpentan-2-amine

5-(4-methylphenyl)sulfonylpentan-2-amine (PubChem CID 64639610) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonylpentan-2-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonylpentan-2-amine
PubChem CID64639610
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name5-(4-methylphenyl)sulfonylpentan-2-amine
SMILESCc1ccc(S(=O)(=O)CCCC(C)N)cc1
InChIInChI=1S/C12H19NO2S/c1-10-5-7-12(8-6-10)16(14,15)9-3-4-11(2)13/h5-8,11H,3-4,9,13H2,1-2H3
InChIKeyWENNZNYIXGUDRV-UHFFFAOYSA-N
XLogP1.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonylpentan-2-amine?
The IUPAC name of 5-(4-methylphenyl)sulfonylpentan-2-amine (CID 64639610) is 5-(4-methylphenyl)sulfonylpentan-2-amine.
What is the SMILES notation for 5-(4-methylphenyl)sulfonylpentan-2-amine?
The canonical SMILES for 5-(4-methylphenyl)sulfonylpentan-2-amine is Cc1ccc(S(=O)(=O)CCCC(C)N)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonylpentan-2-amine?
The InChIKey is WENNZNYIXGUDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10-5-7-12(8-6-10)16(14,15)9-3-4-11(2)13/h5-8,11H,3-4,9,13H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)sulfonylpentan-2-amine?
5-(4-methylphenyl)sulfonylpentan-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonylpentan-2-amine is sourced from PubChem (CID 64639610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).