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

C13H30N4O2S — CID 106082659

IUPAC1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine
SMILESCNCCCN(C)S(=O)(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C13H30N4O2S/c1-14-8-4-10-17(3)20(18,19)15-9-5-13-6-11-16(2)12-7-13/h13-15H,4-12H2,1-3H3
InChIKeyPXYYSCZCFRWAHM-UHFFFAOYSA-N
MW306.48 g/mol
LogP0.09
Rot. Bonds9

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

1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine (PubChem CID 106082659) has the molecular formula C13H30N4O2S and a molecular weight of 306.48 g/mol. Its IUPAC name is 1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine
PubChem CID106082659
Molecular FormulaC13H30N4O2S
Molecular Weight306.48 g/mol
Exact Mass306.21
IUPAC Name1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine
SMILESCNCCCN(C)S(=O)(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C13H30N4O2S/c1-14-8-4-10-17(3)20(18,19)15-9-5-13-6-11-16(2)12-7-13/h13-15H,4-12H2,1-3H3
InChIKeyPXYYSCZCFRWAHM-UHFFFAOYSA-N
XLogP0.09
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 50.09
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-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
CID 114135483
4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide
CID 106082653
4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine
CID 106327431
2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopentane
CID 54952302
2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane
CID 106094370
N-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
CID 83817392
1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
CID 106041029
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 113476469
4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
CID 106088303

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine?
The IUPAC name of 1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine (CID 106082659) is 1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine.
What is the SMILES notation for 1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine?
The canonical SMILES for 1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine is CNCCCN(C)S(=O)(=O)NCCC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine?
The InChIKey is PXYYSCZCFRWAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O2S/c1-14-8-4-10-17(3)20(18,19)15-9-5-13-6-11-16(2)12-7-13/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine?
1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine has a molecular weight of 306.48 g/mol, XLogP of 0.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine is sourced from PubChem (CID 106082659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).