3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide

C12H27N3O2S — CID 106009226

IUPAC3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)NC(C)CN1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-12(11-15-8-4-3-5-9-15)14-18(16,17)10-6-7-13-2/h12-14H,3-11H2,1-2H3
InChIKeyJLBNYQQTWYMBSG-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.39
Rot. Bonds8

About 3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide

3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide (PubChem CID 106009226) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide
PubChem CID106009226
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)NC(C)CN1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-12(11-15-8-4-3-5-9-15)14-18(16,17)10-6-7-13-2/h12-14H,3-11H2,1-2H3
InChIKeyJLBNYQQTWYMBSG-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.39
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

3-(ethylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1-sulfonamide
CID 106050931
N-(1-piperidin-1-ylpropan-2-yl)ethanesulfonamide
CID 64584940
N-(1-piperidin-1-ylpropan-2-yl)but-3-ene-1-sulfonamide
CID 86804950
3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid
CID 61472996
N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 65093417
3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
CID 106003094
N-[(2R)-1-piperidin-1-ylpropan-2-yl]cyclopropanesulfonamide
CID 99827272
1-[(2S)-oxolan-2-yl]-N-[(2R)-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 99827262
N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-sulfonamide
CID 61251794
4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine
CID 106003066
N-(1-cyclopentylethyl)-4-(methylamino)butane-1-sulfonamide
CID 106066011
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine
CID 106050972

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide?
The IUPAC name of 3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide (CID 106009226) is 3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide is CNCCCS(=O)(=O)NC(C)CN1CCCCC1.
What is the InChIKey of 3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide?
The InChIKey is JLBNYQQTWYMBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-12(11-15-8-4-3-5-9-15)14-18(16,17)10-6-7-13-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide?
3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 106009226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).