N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine

C10H22N2O2S — CID 59691471

IUPACN-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine
SMILESCN(C1CCN(S(C)(=O)=O)C1)C(C)(C)C
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)11(4)9-6-7-12(8-9)15(5,13)14/h9H,6-8H2,1-5H3
InChIKeyIEEDHWNLPYOYPB-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.75
Rot. Bonds2

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

N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine (PubChem CID 59691471) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine
PubChem CID59691471
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine
SMILESCN(C1CCN(S(C)(=O)=O)C1)C(C)(C)C
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)11(4)9-6-7-12(8-9)15(5,13)14/h9H,6-8H2,1-5H3
InChIKeyIEEDHWNLPYOYPB-UHFFFAOYSA-N
XLogP0.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine?
The IUPAC name of N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine (CID 59691471) is N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine?
The canonical SMILES for N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine is CN(C1CCN(S(C)(=O)=O)C1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine?
The InChIKey is IEEDHWNLPYOYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,3)11(4)9-6-7-12(8-9)15(5,13)14/h9H,6-8H2,1-5H3.
What are the key properties of N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine?
N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine has a molecular weight of 234.36 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 59691471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).