1-methylsulfonylpyrrol-3-amine;hydrochloride

C5H9ClN2O2S — CID 146153248

IUPAC1-methylsulfonylpyrrol-3-amine;hydrochloride
SMILESCS(=O)(=O)n1ccc(N)c1.Cl
InChIInChI=1S/C5H8N2O2S.ClH/c1-10(8,9)7-3-2-5(6)4-7;/h2-4H,6H2,1H3;1H
InChIKeyBWZRQEHCWLKCOA-UHFFFAOYSA-N
MW196.66 g/mol
LogP0.30
Rot. Bonds1

About 1-methylsulfonylpyrrol-3-amine;hydrochloride

1-methylsulfonylpyrrol-3-amine;hydrochloride (PubChem CID 146153248) has the molecular formula C5H9ClN2O2S and a molecular weight of 196.66 g/mol. Its IUPAC name is 1-methylsulfonylpyrrol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-methylsulfonylpyrrol-3-amine;hydrochloride
PubChem CID146153248
Molecular FormulaC5H9ClN2O2S
Molecular Weight196.66 g/mol
Exact Mass196.01
IUPAC Name1-methylsulfonylpyrrol-3-amine;hydrochloride
SMILESCS(=O)(=O)n1ccc(N)c1.Cl
InChIInChI=1S/C5H8N2O2S.ClH/c1-10(8,9)7-3-2-5(6)4-7;/h2-4H,6H2,1H3;1H
InChIKeyBWZRQEHCWLKCOA-UHFFFAOYSA-N
XLogP0.30
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.66
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpyrrol-3-amine;hydrochloride?
The IUPAC name of 1-methylsulfonylpyrrol-3-amine;hydrochloride (CID 146153248) is 1-methylsulfonylpyrrol-3-amine;hydrochloride.
What is the SMILES notation for 1-methylsulfonylpyrrol-3-amine;hydrochloride?
The canonical SMILES for 1-methylsulfonylpyrrol-3-amine;hydrochloride is CS(=O)(=O)n1ccc(N)c1.Cl.
What is the InChIKey of 1-methylsulfonylpyrrol-3-amine;hydrochloride?
The InChIKey is BWZRQEHCWLKCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S.ClH/c1-10(8,9)7-3-2-5(6)4-7;/h2-4H,6H2,1H3;1H.
What are the key properties of 1-methylsulfonylpyrrol-3-amine;hydrochloride?
1-methylsulfonylpyrrol-3-amine;hydrochloride has a molecular weight of 196.66 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpyrrol-3-amine;hydrochloride is sourced from PubChem (CID 146153248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).