3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine

C15H22ClNO2S — CID 79551184

IUPAC3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine
SMILESCC(C)(CNC1CC(c2ccccc2Cl)C1)S(C)(=O)=O
InChIInChI=1S/C15H22ClNO2S/c1-15(2,20(3,18)19)10-17-12-8-11(9-12)13-6-4-5-7-14(13)16/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeySUCHBTHCWMUPAN-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.00
Rot. Bonds5

About 3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine

3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine (PubChem CID 79551184) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine
PubChem CID79551184
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine
SMILESCC(C)(CNC1CC(c2ccccc2Cl)C1)S(C)(=O)=O
InChIInChI=1S/C15H22ClNO2S/c1-15(2,20(3,18)19)10-17-12-8-11(9-12)13-6-4-5-7-14(13)16/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeySUCHBTHCWMUPAN-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine (CID 79551184) is 3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine is CC(C)(CNC1CC(c2ccccc2Cl)C1)S(C)(=O)=O.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine?
The InChIKey is SUCHBTHCWMUPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-15(2,20(3,18)19)10-17-12-8-11(9-12)13-6-4-5-7-14(13)16/h4-7,11-12,17H,8-10H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine?
3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine has a molecular weight of 315.87 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 79551184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).