1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine

C11H26N4O2S — CID 114135483

IUPAC1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
SMILESCNCCCN(C)S(=O)(=O)NCC1CCN(C)C1
InChIInChI=1S/C11H26N4O2S/c1-12-6-4-7-15(3)18(16,17)13-9-11-5-8-14(2)10-11/h11-13H,4-10H2,1-3H3
InChIKeyBUEWABDCZRUTBW-UHFFFAOYSA-N
MW278.42 g/mol
LogP-0.69
Rot. Bonds8

About 1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine

1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine (PubChem CID 114135483) has the molecular formula C11H26N4O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
PubChem CID114135483
Molecular FormulaC11H26N4O2S
Molecular Weight278.42 g/mol
Exact Mass278.18
IUPAC Name1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
SMILESCNCCCN(C)S(=O)(=O)NCC1CCN(C)C1
InChIInChI=1S/C11H26N4O2S/c1-12-6-4-7-15(3)18(16,17)13-9-11-5-8-14(2)10-11/h11-13H,4-10H2,1-3H3
InChIKeyBUEWABDCZRUTBW-UHFFFAOYSA-N
XLogP-0.69
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 5-0.69
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-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine
CID 106082659
4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine
CID 106327431
2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane
CID 114106932
1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
CID 106088303
2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine
CID 106066888
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 113476469
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
1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine
CID 63274281
1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine
CID 106074063
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-4-methylcyclohexane
CID 106062407

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine?
The IUPAC name of 1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine (CID 114135483) is 1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine.
What is the SMILES notation for 1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine?
The canonical SMILES for 1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine is CNCCCN(C)S(=O)(=O)NCC1CCN(C)C1.
What is the InChIKey of 1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine?
The InChIKey is BUEWABDCZRUTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O2S/c1-12-6-4-7-15(3)18(16,17)13-9-11-5-8-14(2)10-11/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine?
1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine has a molecular weight of 278.42 g/mol, XLogP of -0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine is sourced from PubChem (CID 114135483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).