[1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine

C15H22ClNS — CID 66154475

IUPAC[1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine
SMILESCCC1(CC)CC(CN)(Sc2ccccc2Cl)C1
InChIInChI=1S/C15H22ClNS/c1-3-14(4-2)9-15(10-14,11-17)18-13-8-6-5-7-12(13)16/h5-8H,3-4,9-11,17H2,1-2H3
InChIKeyNEAXFSGODYSLKY-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.73
Rot. Bonds5

About [1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine

[1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine (PubChem CID 66154475) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is [1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine
PubChem CID66154475
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name[1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine
SMILESCCC1(CC)CC(CN)(Sc2ccccc2Cl)C1
InChIInChI=1S/C15H22ClNS/c1-3-14(4-2)9-15(10-14,11-17)18-13-8-6-5-7-12(13)16/h5-8H,3-4,9-11,17H2,1-2H3
InChIKeyNEAXFSGODYSLKY-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine?
The IUPAC name of [1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine (CID 66154475) is [1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine.
What is the SMILES notation for [1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine?
The canonical SMILES for [1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine is CCC1(CC)CC(CN)(Sc2ccccc2Cl)C1.
What is the InChIKey of [1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine?
The InChIKey is NEAXFSGODYSLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-3-14(4-2)9-15(10-14,11-17)18-13-8-6-5-7-12(13)16/h5-8H,3-4,9-11,17H2,1-2H3.
What are the key properties of [1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine?
[1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine has a molecular weight of 283.87 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine is sourced from PubChem (CID 66154475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).