N-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride

C6H15ClN2O2S — CID 119031901

IUPACN-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(S(C)(=O)=O)C1.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-7-6-3-4-8(5-6)11(2,9)10;/h6-7H,3-5H2,1-2H3;1H
InChIKeyCBPNALYCKRBIDX-UHFFFAOYSA-N
MW214.72 g/mol
LogP-0.34
Rot. Bonds2

About N-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride

N-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119031901) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is N-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119031901
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC NameN-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(S(C)(=O)=O)C1.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-7-6-3-4-8(5-6)11(2,9)10;/h6-7H,3-5H2,1-2H3;1H
InChIKeyCBPNALYCKRBIDX-UHFFFAOYSA-N
XLogP-0.34
TPSA49.41 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 ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride (CID 119031901) is N-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride is CNC1CCN(S(C)(=O)=O)C1.Cl.
What is the InChIKey of N-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is CBPNALYCKRBIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c1-7-6-3-4-8(5-6)11(2,9)10;/h6-7H,3-5H2,1-2H3;1H.
What are the key properties of N-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride?
N-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119031901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).