3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide

C13H29N3O4S — CID 103541529

IUPAC3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
SMILESCCCNCCCN(C)S(=O)(=O)N1CC(OC)C(OC)C1
InChIInChI=1S/C13H29N3O4S/c1-5-7-14-8-6-9-15(2)21(17,18)16-10-12(19-3)13(11-16)20-4/h12-14H,5-11H2,1-4H3
InChIKeyREQIJKZDAFCJLE-UHFFFAOYSA-N
MW323.46 g/mol
LogP-0.10
Rot. Bonds10

About 3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide

3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide (PubChem CID 103541529) has the molecular formula C13H29N3O4S and a molecular weight of 323.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
PubChem CID103541529
Molecular FormulaC13H29N3O4S
Molecular Weight323.46 g/mol
Exact Mass323.19
IUPAC Name3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
SMILESCCCNCCCN(C)S(=O)(=O)N1CC(OC)C(OC)C1
InChIInChI=1S/C13H29N3O4S/c1-5-7-14-8-6-9-15(2)21(17,18)16-10-12(19-3)13(11-16)20-4/h12-14H,5-11H2,1-4H3
InChIKeyREQIJKZDAFCJLE-UHFFFAOYSA-N
XLogP-0.10
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
CID 81463759
4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-1-amine
CID 103539930
N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide
CID 102971424
3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide
CID 102971673
N,5-dimethyl-N-[3-(propylamino)propyl]-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 106317296
N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide
CID 63873091
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine
CID 106075281
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 106091151
N-methyl-N-(2-methylsulfanylethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 115988307
1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane
CID 106068275
N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine
CID 82745275

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide?
The IUPAC name of 3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide (CID 103541529) is 3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide is CCCNCCCN(C)S(=O)(=O)N1CC(OC)C(OC)C1.
What is the InChIKey of 3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide?
The InChIKey is REQIJKZDAFCJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O4S/c1-5-7-14-8-6-9-15(2)21(17,18)16-10-12(19-3)13(11-16)20-4/h12-14H,5-11H2,1-4H3.
What are the key properties of 3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide?
3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide has a molecular weight of 323.46 g/mol, XLogP of -0.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 103541529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).