N-methyl-1-methylsulfonylpyrrolidin-2-amine

C6H14N2O2S — CID 91437727

IUPACN-methyl-1-methylsulfonylpyrrolidin-2-amine
SMILESCNC1CCCN1S(C)(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-7-6-4-3-5-8(6)11(2,9)10/h6-7H,3-5H2,1-2H3
InChIKeyROYXHBPSUJSUNX-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.41
Rot. Bonds2

About N-methyl-1-methylsulfonylpyrrolidin-2-amine

N-methyl-1-methylsulfonylpyrrolidin-2-amine (PubChem CID 91437727) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-methyl-1-methylsulfonylpyrrolidin-2-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfonylpyrrolidin-2-amine
PubChem CID91437727
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-methyl-1-methylsulfonylpyrrolidin-2-amine
SMILESCNC1CCCN1S(C)(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-7-6-4-3-5-8(6)11(2,9)10/h6-7H,3-5H2,1-2H3
InChIKeyROYXHBPSUJSUNX-UHFFFAOYSA-N
XLogP-0.41
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 ≤ 5-0.41
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-2-amine?
The IUPAC name of N-methyl-1-methylsulfonylpyrrolidin-2-amine (CID 91437727) is N-methyl-1-methylsulfonylpyrrolidin-2-amine.
What is the SMILES notation for N-methyl-1-methylsulfonylpyrrolidin-2-amine?
The canonical SMILES for N-methyl-1-methylsulfonylpyrrolidin-2-amine is CNC1CCCN1S(C)(=O)=O.
What is the InChIKey of N-methyl-1-methylsulfonylpyrrolidin-2-amine?
The InChIKey is ROYXHBPSUJSUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-7-6-4-3-5-8(6)11(2,9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-methylsulfonylpyrrolidin-2-amine?
N-methyl-1-methylsulfonylpyrrolidin-2-amine has a molecular weight of 178.26 g/mol, XLogP of -0.41, 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-2-amine is sourced from PubChem (CID 91437727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).