2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine

C9H19NO2S — CID 65492021

IUPAC2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine
SMILESCCCS(=O)(=O)CC1(CCN)CC1
InChIInChI=1S/C9H19NO2S/c1-2-7-13(11,12)8-9(3-4-9)5-6-10/h2-8,10H2,1H3
InChIKeyGLFRKCBGBUMBCU-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.94
Rot. Bonds6

About 2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine

2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine (PubChem CID 65492021) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine
PubChem CID65492021
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine
SMILESCCCS(=O)(=O)CC1(CCN)CC1
InChIInChI=1S/C9H19NO2S/c1-2-7-13(11,12)8-9(3-4-9)5-6-10/h2-8,10H2,1H3
InChIKeyGLFRKCBGBUMBCU-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine?
The IUPAC name of 2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine (CID 65492021) is 2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine is CCCS(=O)(=O)CC1(CCN)CC1.
What is the InChIKey of 2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine?
The InChIKey is GLFRKCBGBUMBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-7-13(11,12)8-9(3-4-9)5-6-10/h2-8,10H2,1H3.
What are the key properties of 2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine?
2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine has a molecular weight of 205.32 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(propylsulfonylmethyl)cyclopropyl]ethanamine is sourced from PubChem (CID 65492021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).