1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine

C12H28N4O2S — CID 106075281

IUPAC1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine
SMILESCCCNCCCN(C)S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C12H28N4O2S/c1-3-8-13-9-7-10-15(2)19(17,18)14-16-11-5-4-6-12-16/h13-14H,3-12H2,1-2H3
InChIKeyYMLGEFUXVJSGPM-UHFFFAOYSA-N
MW292.45 g/mol
LogP0.54
Rot. Bonds9

About 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine

1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine (PubChem CID 106075281) has the molecular formula C12H28N4O2S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine.

Molecular Properties

Compound Name1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine
PubChem CID106075281
Molecular FormulaC12H28N4O2S
Molecular Weight292.45 g/mol
Exact Mass292.19
IUPAC Name1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine
SMILESCCCNCCCN(C)S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C12H28N4O2S/c1-3-8-13-9-7-10-15(2)19(17,18)14-16-11-5-4-6-12-16/h13-14H,3-12H2,1-2H3
InChIKeyYMLGEFUXVJSGPM-UHFFFAOYSA-N
XLogP0.54
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 106091151
methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate
CID 83004152
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane
CID 106084813
2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane
CID 106086751
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine
CID 106050972
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclohexane
CID 106091345
1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane
CID 106068275
3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
CID 103541529
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106039174

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine?
The IUPAC name of 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine (CID 106075281) is 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine.
What is the SMILES notation for 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine?
The canonical SMILES for 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine is CCCNCCCN(C)S(=O)(=O)NN1CCCCC1.
What is the InChIKey of 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine?
The InChIKey is YMLGEFUXVJSGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2S/c1-3-8-13-9-7-10-15(2)19(17,18)14-16-11-5-4-6-12-16/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine?
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine has a molecular weight of 292.45 g/mol, XLogP of 0.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine is sourced from PubChem (CID 106075281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).