3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one

C13H23NOS — CID 166946195

IUPAC3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one
SMILESCSC(NCC1CCC1)C(=O)CC1CCC1
InChIInChI=1S/C13H23NOS/c1-16-13(14-9-11-6-3-7-11)12(15)8-10-4-2-5-10/h10-11,13-14H,2-9H2,1H3
InChIKeyWEYWJYJJECSWCE-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.82
Rot. Bonds7

About 3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one

3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one (PubChem CID 166946195) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one.

Molecular Properties

Compound Name3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one
PubChem CID166946195
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one
SMILESCSC(NCC1CCC1)C(=O)CC1CCC1
InChIInChI=1S/C13H23NOS/c1-16-13(14-9-11-6-3-7-11)12(15)8-10-4-2-5-10/h10-11,13-14H,2-9H2,1H3
InChIKeyWEYWJYJJECSWCE-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one?
The IUPAC name of 3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one (CID 166946195) is 3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one.
What is the SMILES notation for 3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one?
The canonical SMILES for 3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one is CSC(NCC1CCC1)C(=O)CC1CCC1.
What is the InChIKey of 3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one?
The InChIKey is WEYWJYJJECSWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-16-13(14-9-11-6-3-7-11)12(15)8-10-4-2-5-10/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one?
3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one has a molecular weight of 241.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one is sourced from PubChem (CID 166946195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).