N-methyl-1-methylsulfonylpyrrolidin-3-amine

C6H14N2O2S — CID 59686798

IUPACN-methyl-1-methylsulfonylpyrrolidin-3-amine
SMILESCNC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C6H14N2O2S/c1-7-6-3-4-8(5-6)11(2,9)10/h6-7H,3-5H2,1-2H3
InChIKeyVTSUBOKMHFKQAN-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.76
Rot. Bonds2

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

N-methyl-1-methylsulfonylpyrrolidin-3-amine (PubChem CID 59686798) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-methyl-1-methylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfonylpyrrolidin-3-amine
PubChem CID59686798
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-methyl-1-methylsulfonylpyrrolidin-3-amine
SMILESCNC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C6H14N2O2S/c1-7-6-3-4-8(5-6)11(2,9)10/h6-7H,3-5H2,1-2H3
InChIKeyVTSUBOKMHFKQAN-UHFFFAOYSA-N
XLogP-0.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.76
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?
The IUPAC name of N-methyl-1-methylsulfonylpyrrolidin-3-amine (CID 59686798) is N-methyl-1-methylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-methylsulfonylpyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-methylsulfonylpyrrolidin-3-amine is CNC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-1-methylsulfonylpyrrolidin-3-amine?
The InChIKey is VTSUBOKMHFKQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-7-6-3-4-8(5-6)11(2,9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-methylsulfonylpyrrolidin-3-amine?
N-methyl-1-methylsulfonylpyrrolidin-3-amine has a molecular weight of 178.26 g/mol, XLogP of -0.76, 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 is sourced from PubChem (CID 59686798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).