1-methylsulfonylpyrrolidin-2-amine;hydrochloride

C5H13ClN2O2S — CID 66846501

IUPAC1-methylsulfonylpyrrolidin-2-amine;hydrochloride
SMILESCS(=O)(=O)N1CCCC1N.Cl
InChIInChI=1S/C5H12N2O2S.ClH/c1-10(8,9)7-4-2-3-5(7)6;/h5H,2-4,6H2,1H3;1H
InChIKeyNODZRMNAADUAKU-UHFFFAOYSA-N
MW200.69 g/mol
LogP-0.25
Rot. Bonds1

About 1-methylsulfonylpyrrolidin-2-amine;hydrochloride

1-methylsulfonylpyrrolidin-2-amine;hydrochloride (PubChem CID 66846501) has the molecular formula C5H13ClN2O2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 1-methylsulfonylpyrrolidin-2-amine;hydrochloride.

Molecular Properties

Compound Name1-methylsulfonylpyrrolidin-2-amine;hydrochloride
PubChem CID66846501
Molecular FormulaC5H13ClN2O2S
Molecular Weight200.69 g/mol
Exact Mass200.04
IUPAC Name1-methylsulfonylpyrrolidin-2-amine;hydrochloride
SMILESCS(=O)(=O)N1CCCC1N.Cl
InChIInChI=1S/C5H12N2O2S.ClH/c1-10(8,9)7-4-2-3-5(7)6;/h5H,2-4,6H2,1H3;1H
InChIKeyNODZRMNAADUAKU-UHFFFAOYSA-N
XLogP-0.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpyrrolidin-2-amine;hydrochloride?
The IUPAC name of 1-methylsulfonylpyrrolidin-2-amine;hydrochloride (CID 66846501) is 1-methylsulfonylpyrrolidin-2-amine;hydrochloride.
What is the SMILES notation for 1-methylsulfonylpyrrolidin-2-amine;hydrochloride?
The canonical SMILES for 1-methylsulfonylpyrrolidin-2-amine;hydrochloride is CS(=O)(=O)N1CCCC1N.Cl.
What is the InChIKey of 1-methylsulfonylpyrrolidin-2-amine;hydrochloride?
The InChIKey is NODZRMNAADUAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S.ClH/c1-10(8,9)7-4-2-3-5(7)6;/h5H,2-4,6H2,1H3;1H.
What are the key properties of 1-methylsulfonylpyrrolidin-2-amine;hydrochloride?
1-methylsulfonylpyrrolidin-2-amine;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpyrrolidin-2-amine;hydrochloride is sourced from PubChem (CID 66846501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).