N-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide

C10H22N2O2S2 — CID 84592340

IUPACN-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCN(C)C1CCSC1
InChIInChI=1S/C10H22N2O2S2/c1-3-16(13,14)11-6-4-7-12(2)10-5-8-15-9-10/h10-11H,3-9H2,1-2H3
InChIKeyJEVAMNINAGXMJD-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.75
Rot. Bonds7

About N-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide

N-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide (PubChem CID 84592340) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide
PubChem CID84592340
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC NameN-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCN(C)C1CCSC1
InChIInChI=1S/C10H22N2O2S2/c1-3-16(13,14)11-6-4-7-12(2)10-5-8-15-9-10/h10-11H,3-9H2,1-2H3
InChIKeyJEVAMNINAGXMJD-UHFFFAOYSA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide 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-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide?
The IUPAC name of N-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide (CID 84592340) is N-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide?
The canonical SMILES for N-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide is CCS(=O)(=O)NCCCN(C)C1CCSC1.
What is the InChIKey of N-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide?
The InChIKey is JEVAMNINAGXMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S2/c1-3-16(13,14)11-6-4-7-12(2)10-5-8-15-9-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide?
N-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide has a molecular weight of 266.43 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(thiolan-3-yl)amino]propyl]ethanesulfonamide is sourced from PubChem (CID 84592340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).