N-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine

C9H18N2O2S — CID 79673306

IUPACN-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine
SMILESC=CCS(=O)(=O)N1CCC(CNC)C1
InChIInChI=1S/C9H18N2O2S/c1-3-6-14(12,13)11-5-4-9(8-11)7-10-2/h3,9-10H,1,4-8H2,2H3
InChIKeyIQIYJXDPDHSWMP-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.04
Rot. Bonds5

About N-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine

N-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine (PubChem CID 79673306) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine
PubChem CID79673306
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine
SMILESC=CCS(=O)(=O)N1CCC(CNC)C1
InChIInChI=1S/C9H18N2O2S/c1-3-6-14(12,13)11-5-4-9(8-11)7-10-2/h3,9-10H,1,4-8H2,2H3
InChIKeyIQIYJXDPDHSWMP-UHFFFAOYSA-N
XLogP0.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)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 N-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine (CID 79673306) is N-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine is C=CCS(=O)(=O)N1CCC(CNC)C1.
What is the InChIKey of N-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine?
The InChIKey is IQIYJXDPDHSWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-3-6-14(12,13)11-5-4-9(8-11)7-10-2/h3,9-10H,1,4-8H2,2H3.
What are the key properties of N-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine?
N-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine has a molecular weight of 218.32 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-prop-2-enylsulfonylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 79673306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).