(1-ethylsulfonylcyclopropyl)methanamine;hydrochloride

C6H14ClNO2S — CID 122164381

IUPAC(1-ethylsulfonylcyclopropyl)methanamine;hydrochloride
SMILESCCS(=O)(=O)C1(CN)CC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-2-10(8,9)6(5-7)3-4-6;/h2-5,7H2,1H3;1H
InChIKeyCYOVUDALACYEDS-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.33
Rot. Bonds3

About (1-ethylsulfonylcyclopropyl)methanamine;hydrochloride

(1-ethylsulfonylcyclopropyl)methanamine;hydrochloride (PubChem CID 122164381) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is (1-ethylsulfonylcyclopropyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-ethylsulfonylcyclopropyl)methanamine;hydrochloride
PubChem CID122164381
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name(1-ethylsulfonylcyclopropyl)methanamine;hydrochloride
SMILESCCS(=O)(=O)C1(CN)CC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-2-10(8,9)6(5-7)3-4-6;/h2-5,7H2,1H3;1H
InChIKeyCYOVUDALACYEDS-UHFFFAOYSA-N
XLogP0.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-ethylsulfonylcyclopropyl)methanamine;hydrochloride?
The IUPAC name of (1-ethylsulfonylcyclopropyl)methanamine;hydrochloride (CID 122164381) is (1-ethylsulfonylcyclopropyl)methanamine;hydrochloride.
What is the SMILES notation for (1-ethylsulfonylcyclopropyl)methanamine;hydrochloride?
The canonical SMILES for (1-ethylsulfonylcyclopropyl)methanamine;hydrochloride is CCS(=O)(=O)C1(CN)CC1.Cl.
What is the InChIKey of (1-ethylsulfonylcyclopropyl)methanamine;hydrochloride?
The InChIKey is CYOVUDALACYEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-2-10(8,9)6(5-7)3-4-6;/h2-5,7H2,1H3;1H.
What are the key properties of (1-ethylsulfonylcyclopropyl)methanamine;hydrochloride?
(1-ethylsulfonylcyclopropyl)methanamine;hydrochloride has a molecular weight of 199.70 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylcyclopropyl)methanamine;hydrochloride is sourced from PubChem (CID 122164381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).