2-(cyclobutylmethylsulfinyl)ethanamine

C7H15NOS — CID 58684319

IUPAC2-(cyclobutylmethylsulfinyl)ethanamine
SMILESNCCS(=O)CC1CCC1
InChIInChI=1S/C7H15NOS/c8-4-5-10(9)6-7-2-1-3-7/h7H,1-6,8H2
InChIKeyAAVFPAGLNIXGTM-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.49
Rot. Bonds4

About 2-(cyclobutylmethylsulfinyl)ethanamine

2-(cyclobutylmethylsulfinyl)ethanamine (PubChem CID 58684319) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-(cyclobutylmethylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(cyclobutylmethylsulfinyl)ethanamine
PubChem CID58684319
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-(cyclobutylmethylsulfinyl)ethanamine
SMILESNCCS(=O)CC1CCC1
InChIInChI=1S/C7H15NOS/c8-4-5-10(9)6-7-2-1-3-7/h7H,1-6,8H2
InChIKeyAAVFPAGLNIXGTM-UHFFFAOYSA-N
XLogP0.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethylsulfinyl)ethanamine?
The IUPAC name of 2-(cyclobutylmethylsulfinyl)ethanamine (CID 58684319) is 2-(cyclobutylmethylsulfinyl)ethanamine.
What is the SMILES notation for 2-(cyclobutylmethylsulfinyl)ethanamine?
The canonical SMILES for 2-(cyclobutylmethylsulfinyl)ethanamine is NCCS(=O)CC1CCC1.
What is the InChIKey of 2-(cyclobutylmethylsulfinyl)ethanamine?
The InChIKey is AAVFPAGLNIXGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c8-4-5-10(9)6-7-2-1-3-7/h7H,1-6,8H2.
What are the key properties of 2-(cyclobutylmethylsulfinyl)ethanamine?
2-(cyclobutylmethylsulfinyl)ethanamine has a molecular weight of 161.27 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethylsulfinyl)ethanamine is sourced from PubChem (CID 58684319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).