2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine

C12H18ClNO2S — CID 63192294

IUPAC2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine
SMILESCC(N)(CCCS(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2S/c1-12(14,8-3-9-17(2,15)16)10-4-6-11(13)7-5-10/h4-7H,3,8-9,14H2,1-2H3
InChIKeyIZGIWOIYXVPKHH-UHFFFAOYSA-N
MW275.80 g/mol
LogP2.34
Rot. Bonds5

About 2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine

2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine (PubChem CID 63192294) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine
PubChem CID63192294
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine
SMILESCC(N)(CCCS(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2S/c1-12(14,8-3-9-17(2,15)16)10-4-6-11(13)7-5-10/h4-7H,3,8-9,14H2,1-2H3
InChIKeyIZGIWOIYXVPKHH-UHFFFAOYSA-N
XLogP2.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine?
The IUPAC name of 2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine (CID 63192294) is 2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine?
The canonical SMILES for 2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine is CC(N)(CCCS(C)(=O)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine?
The InChIKey is IZGIWOIYXVPKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-12(14,8-3-9-17(2,15)16)10-4-6-11(13)7-5-10/h4-7H,3,8-9,14H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine?
2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine has a molecular weight of 275.80 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methylsulfonylpentan-2-amine is sourced from PubChem (CID 63192294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).