1-cyclobutyl-4-methylsulfonylbutan-1-amine

C9H19NO2S — CID 64986736

IUPAC1-cyclobutyl-4-methylsulfonylbutan-1-amine
SMILESCS(=O)(=O)CCCC(N)C1CCC1
InChIInChI=1S/C9H19NO2S/c1-13(11,12)7-3-6-9(10)8-4-2-5-8/h8-9H,2-7,10H2,1H3
InChIKeyQSCAZZOXBWPWCA-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.94
Rot. Bonds5

About 1-cyclobutyl-4-methylsulfonylbutan-1-amine

1-cyclobutyl-4-methylsulfonylbutan-1-amine (PubChem CID 64986736) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-cyclobutyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-4-methylsulfonylbutan-1-amine
PubChem CID64986736
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-cyclobutyl-4-methylsulfonylbutan-1-amine
SMILESCS(=O)(=O)CCCC(N)C1CCC1
InChIInChI=1S/C9H19NO2S/c1-13(11,12)7-3-6-9(10)8-4-2-5-8/h8-9H,2-7,10H2,1H3
InChIKeyQSCAZZOXBWPWCA-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-cyclobutyl-4-methylsulfonylbutan-1-amine (CID 64986736) is 1-cyclobutyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-cyclobutyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-cyclobutyl-4-methylsulfonylbutan-1-amine is CS(=O)(=O)CCCC(N)C1CCC1.
What is the InChIKey of 1-cyclobutyl-4-methylsulfonylbutan-1-amine?
The InChIKey is QSCAZZOXBWPWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-13(11,12)7-3-6-9(10)8-4-2-5-8/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-cyclobutyl-4-methylsulfonylbutan-1-amine?
1-cyclobutyl-4-methylsulfonylbutan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 64986736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).