1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride

C6H14ClNO2S — CID 119031009

IUPAC1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride
SMILESCC(N)C1(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-5(7)6(3-4-6)10(2,8)9;/h5H,3-4,7H2,1-2H3;1H
InChIKeyFJSVIDNBJPIHMN-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.33
Rot. Bonds2

About 1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride

1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride (PubChem CID 119031009) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is 1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride
PubChem CID119031009
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride
SMILESCC(N)C1(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-5(7)6(3-4-6)10(2,8)9;/h5H,3-4,7H2,1-2H3;1H
InChIKeyFJSVIDNBJPIHMN-UHFFFAOYSA-N
XLogP0.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride?
The IUPAC name of 1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride (CID 119031009) is 1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride is CC(N)C1(S(C)(=O)=O)CC1.Cl.
What is the InChIKey of 1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride?
The InChIKey is FJSVIDNBJPIHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-5(7)6(3-4-6)10(2,8)9;/h5H,3-4,7H2,1-2H3;1H.
What are the key properties of 1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride?
1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride has a molecular weight of 199.70 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylcyclopropyl)ethanamine;hydrochloride is sourced from PubChem (CID 119031009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).