(1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride

C6H15ClN2O2S — CID 71757122

IUPAC(1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
SMILESCS(=O)(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-3-2-6(4-7)5-8;/h6H,2-5,7H2,1H3;1H
InChIKeyQKCMOQXGAPHVSZ-UHFFFAOYSA-N
MW214.72 g/mol
LogP-0.35
Rot. Bonds2

About (1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride

(1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride (PubChem CID 71757122) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is (1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
PubChem CID71757122
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC Name(1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
SMILESCS(=O)(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-3-2-6(4-7)5-8;/h6H,2-5,7H2,1H3;1H
InChIKeyQKCMOQXGAPHVSZ-UHFFFAOYSA-N
XLogP-0.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The IUPAC name of (1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride (CID 71757122) is (1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The canonical SMILES for (1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride is CS(=O)(=O)N1CCC(CN)C1.Cl.
What is the InChIKey of (1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The InChIKey is QKCMOQXGAPHVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-3-2-6(4-7)5-8;/h6H,2-5,7H2,1H3;1H.
What are the key properties of (1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
(1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 71757122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).