N-methyl-N-(2-methylsulfonylethyl)cyclobutanamine

C8H17NO2S — CID 175966696

IUPACN-methyl-N-(2-methylsulfonylethyl)cyclobutanamine
SMILESCN(CCS(C)(=O)=O)C1CCC1
InChIInChI=1S/C8H17NO2S/c1-9(8-4-3-5-8)6-7-12(2,10)11/h8H,3-7H2,1-2H3
InChIKeyFGWVEULNYATMDB-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.52
Rot. Bonds4

About N-methyl-N-(2-methylsulfonylethyl)cyclobutanamine

N-methyl-N-(2-methylsulfonylethyl)cyclobutanamine (PubChem CID 175966696) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)cyclobutanamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)cyclobutanamine
PubChem CID175966696
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)cyclobutanamine
SMILESCN(CCS(C)(=O)=O)C1CCC1
InChIInChI=1S/C8H17NO2S/c1-9(8-4-3-5-8)6-7-12(2,10)11/h8H,3-7H2,1-2H3
InChIKeyFGWVEULNYATMDB-UHFFFAOYSA-N
XLogP0.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)cyclobutanamine?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)cyclobutanamine (CID 175966696) is N-methyl-N-(2-methylsulfonylethyl)cyclobutanamine.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)cyclobutanamine?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)cyclobutanamine is CN(CCS(C)(=O)=O)C1CCC1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)cyclobutanamine?
The InChIKey is FGWVEULNYATMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-9(8-4-3-5-8)6-7-12(2,10)11/h8H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)cyclobutanamine?
N-methyl-N-(2-methylsulfonylethyl)cyclobutanamine has a molecular weight of 191.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)cyclobutanamine is sourced from PubChem (CID 175966696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).