4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine

C12H28N4O3S — CID 106003066

IUPAC4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine
SMILESCNCCCN(C)S(=O)(=O)NC(C)CN1CCOCC1
InChIInChI=1S/C12H28N4O3S/c1-12(11-16-7-9-19-10-8-16)14-20(17,18)15(3)6-4-5-13-2/h12-14H,4-11H2,1-3H3
InChIKeyCDDVMOJMRJPOFU-UHFFFAOYSA-N
MW308.45 g/mol
LogP-0.92
Rot. Bonds9

About 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine

4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine (PubChem CID 106003066) has the molecular formula C12H28N4O3S and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine.

Molecular Properties

Compound Name4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine
PubChem CID106003066
Molecular FormulaC12H28N4O3S
Molecular Weight308.45 g/mol
Exact Mass308.19
IUPAC Name4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine
SMILESCNCCCN(C)S(=O)(=O)NC(C)CN1CCOCC1
InChIInChI=1S/C12H28N4O3S/c1-12(11-16-7-9-19-10-8-16)14-20(17,18)15(3)6-4-5-13-2/h12-14H,4-11H2,1-3H3
InChIKeyCDDVMOJMRJPOFU-UHFFFAOYSA-N
XLogP-0.92
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine
CID 106050972
3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
CID 79586284
3-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)propane-1-sulfonamide
CID 106009226
3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
CID 106003094
4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
CID 106041029
2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 55896392
3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane
CID 106072363
N-[(2R)-1-morpholin-4-ylpropan-2-yl]naphthalene-1-sulfonamide
CID 97000893
1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine
CID 106062300
N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 43675929
4-[1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine
CID 51079505

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine?
The IUPAC name of 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine (CID 106003066) is 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine.
What is the SMILES notation for 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine?
The canonical SMILES for 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine is CNCCCN(C)S(=O)(=O)NC(C)CN1CCOCC1.
What is the InChIKey of 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine?
The InChIKey is CDDVMOJMRJPOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O3S/c1-12(11-16-7-9-19-10-8-16)14-20(17,18)15(3)6-4-5-13-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine?
4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine has a molecular weight of 308.45 g/mol, XLogP of -0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine is sourced from PubChem (CID 106003066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).