1-methylsulfonylpyrrol-2-amine

C5H8N2O2S — CID 133055608

IUPAC1-methylsulfonylpyrrol-2-amine
SMILESCS(=O)(=O)n1cccc1N
InChIInChI=1S/C5H8N2O2S/c1-10(8,9)7-4-2-3-5(7)6/h2-4H,6H2,1H3
InChIKeyMFGQLZFLTVLTMO-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.12
Rot. Bonds1

About 1-methylsulfonylpyrrol-2-amine

1-methylsulfonylpyrrol-2-amine (PubChem CID 133055608) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 1-methylsulfonylpyrrol-2-amine.

Molecular Properties

Compound Name1-methylsulfonylpyrrol-2-amine
PubChem CID133055608
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name1-methylsulfonylpyrrol-2-amine
SMILESCS(=O)(=O)n1cccc1N
InChIInChI=1S/C5H8N2O2S/c1-10(8,9)7-4-2-3-5(7)6/h2-4H,6H2,1H3
InChIKeyMFGQLZFLTVLTMO-UHFFFAOYSA-N
XLogP-0.12
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpyrrol-2-amine?
The IUPAC name of 1-methylsulfonylpyrrol-2-amine (CID 133055608) is 1-methylsulfonylpyrrol-2-amine.
What is the SMILES notation for 1-methylsulfonylpyrrol-2-amine?
The canonical SMILES for 1-methylsulfonylpyrrol-2-amine is CS(=O)(=O)n1cccc1N.
What is the InChIKey of 1-methylsulfonylpyrrol-2-amine?
The InChIKey is MFGQLZFLTVLTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-10(8,9)7-4-2-3-5(7)6/h2-4H,6H2,1H3.
What are the key properties of 1-methylsulfonylpyrrol-2-amine?
1-methylsulfonylpyrrol-2-amine has a molecular weight of 160.20 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpyrrol-2-amine is sourced from PubChem (CID 133055608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).