1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine

C12H20N4O2S — CID 167757288

IUPAC1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine
SMILESCNS(=O)(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C12H20N4O2S/c1-13-19(17,18)15-9-11-5-7-16(2)12(11)10-4-3-6-14-8-10/h3-4,6,8,11-13,15H,5,7,9H2,1-2H3/t11-,12-/m0/s1
InChIKeyLLNNSMDSDXMIEJ-RYUDHWBXSA-N
MW284.38 g/mol
LogP0.13
Rot. Bonds5

About 1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine

1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine (PubChem CID 167757288) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine.

Molecular Properties

Compound Name1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine
PubChem CID167757288
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine
SMILESCNS(=O)(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C12H20N4O2S/c1-13-19(17,18)15-9-11-5-7-16(2)12(11)10-4-3-6-14-8-10/h3-4,6,8,11-13,15H,5,7,9H2,1-2H3/t11-,12-/m0/s1
InChIKeyLLNNSMDSDXMIEJ-RYUDHWBXSA-N
XLogP0.13
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine 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 1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine?
The IUPAC name of 1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine (CID 167757288) is 1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine.
What is the SMILES notation for 1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine?
The canonical SMILES for 1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine is CNS(=O)(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1.
What is the InChIKey of 1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine?
The InChIKey is LLNNSMDSDXMIEJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-13-19(17,18)15-9-11-5-7-16(2)12(11)10-4-3-6-14-8-10/h3-4,6,8,11-13,15H,5,7,9H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of 1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine?
1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine has a molecular weight of 284.38 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine is sourced from PubChem (CID 167757288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).