1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine

C12H28N4O2S — CID 106074063

IUPAC1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine
SMILESCNCCCN(C)S(=O)(=O)NC1CCN(C)C(C)C1
InChIInChI=1S/C12H28N4O2S/c1-11-10-12(6-9-15(11)3)14-19(17,18)16(4)8-5-7-13-2/h11-14H,5-10H2,1-4H3
InChIKeyZKZVJFVETANBHJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP-0.16
Rot. Bonds7

About 1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine

1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine (PubChem CID 106074063) has the molecular formula C12H28N4O2S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine.

Molecular Properties

Compound Name1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine
PubChem CID106074063
Molecular FormulaC12H28N4O2S
Molecular Weight292.45 g/mol
Exact Mass292.19
IUPAC Name1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine
SMILESCNCCCN(C)S(=O)(=O)NC1CCN(C)C(C)C1
InChIInChI=1S/C12H28N4O2S/c1-11-10-12(6-9-15(11)3)14-19(17,18)16(4)8-5-7-13-2/h11-14H,5-10H2,1-4H3
InChIKeyZKZVJFVETANBHJ-UHFFFAOYSA-N
XLogP-0.16
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 5-0.16
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

1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068847
9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane
CID 106067150
1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane
CID 106072363
1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106077353
7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 106074034
1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
CID 114135483
1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine
CID 106082659
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
(2R,4S)-N,1,2-trimethylpiperidin-4-amine
CID 94244018
(2S,4R)-N,1,2-trimethylpiperidin-4-amine
CID 94244017
1-ethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106002882

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine?
The IUPAC name of 1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine (CID 106074063) is 1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine.
What is the SMILES notation for 1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine?
The canonical SMILES for 1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine is CNCCCN(C)S(=O)(=O)NC1CCN(C)C(C)C1.
What is the InChIKey of 1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine?
The InChIKey is ZKZVJFVETANBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2S/c1-11-10-12(6-9-15(11)3)14-19(17,18)16(4)8-5-7-13-2/h11-14H,5-10H2,1-4H3.
What are the key properties of 1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine?
1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine has a molecular weight of 292.45 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine is sourced from PubChem (CID 106074063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).