(3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine

C10H22N2O2S — CID 59691484

IUPAC(3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine
SMILESCN([C@H]1CCN(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/t9-/m0/s1
InChIKeyIEEDHWNLPYOYPB-VIFPVBQESA-N
MW234.36 g/mol
LogP0.75
Rot. Bonds2

About (3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine

(3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine (PubChem CID 59691484) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is (3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine
PubChem CID59691484
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name(3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine
SMILESCN([C@H]1CCN(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/t9-/m0/s1
InChIKeyIEEDHWNLPYOYPB-VIFPVBQESA-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

Analyze (3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine?
The IUPAC name of (3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine (CID 59691484) is (3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine is CN([C@H]1CCN(S(C)(=O)=O)C1)C(C)(C)C.
What is the InChIKey of (3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine?
The InChIKey is IEEDHWNLPYOYPB-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of (3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine?
(3S)-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 (3S)-N-tert-butyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 59691484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).