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

C11H26N4O2S2 — CID 106327431

IUPAC4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine
SMILESCNCCCN(C)S(=O)(=O)NCCN1CCSCC1
InChIInChI=1S/C11H26N4O2S2/c1-12-4-3-6-14(2)19(16,17)13-5-7-15-8-10-18-11-9-15/h12-13H,3-11H2,1-2H3
InChIKeyLVPPYPJKMFGZGX-UHFFFAOYSA-N
MW310.49 g/mol
LogP-0.59
Rot. Bonds9

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

4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine (PubChem CID 106327431) has the molecular formula C11H26N4O2S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine
PubChem CID106327431
Molecular FormulaC11H26N4O2S2
Molecular Weight310.49 g/mol
Exact Mass310.15
IUPAC Name4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine
SMILESCNCCCN(C)S(=O)(=O)NCCN1CCSCC1
InChIInChI=1S/C11H26N4O2S2/c1-12-4-3-6-14(2)19(16,17)13-5-7-15-8-10-18-11-9-15/h12-13H,3-11H2,1-2H3
InChIKeyLVPPYPJKMFGZGX-UHFFFAOYSA-N
XLogP-0.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 5-0.59
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-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-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
CID 106041029
4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077188
2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane
CID 106094290
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 113476469
1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
CID 106088303
1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane
CID 106094370
1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine
CID 106074063

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine?
The IUPAC name of 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine (CID 106327431) is 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine.
What is the SMILES notation for 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine?
The canonical SMILES for 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine is CNCCCN(C)S(=O)(=O)NCCN1CCSCC1.
What is the InChIKey of 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine?
The InChIKey is LVPPYPJKMFGZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O2S2/c1-12-4-3-6-14(2)19(16,17)13-5-7-15-8-10-18-11-9-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine?
4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine has a molecular weight of 310.49 g/mol, XLogP of -0.59, 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]ethyl]thiomorpholine is sourced from PubChem (CID 106327431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).