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

C11H27N3O2S — CID 114137543

IUPAC4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
SMILESCNCCCN(C)S(=O)(=O)NCCCC(C)C
InChIInChI=1S/C11H27N3O2S/c1-11(2)7-5-9-13-17(15,16)14(4)10-6-8-12-3/h11-13H,5-10H2,1-4H3
InChIKeyXKGWEGXNPVXRGH-UHFFFAOYSA-N
MW265.42 g/mol
LogP0.80
Rot. Bonds10

About 4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane

4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane (PubChem CID 114137543) has the molecular formula C11H27N3O2S and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane.

Molecular Properties

Compound Name4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
PubChem CID114137543
Molecular FormulaC11H27N3O2S
Molecular Weight265.42 g/mol
Exact Mass265.18
IUPAC Name4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
SMILESCNCCCN(C)S(=O)(=O)NCCCC(C)C
InChIInChI=1S/C11H27N3O2S/c1-11(2)7-5-9-13-17(15,16)14(4)10-6-8-12-3/h11-13H,5-10H2,1-4H3
InChIKeyXKGWEGXNPVXRGH-UHFFFAOYSA-N
XLogP0.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
CID 106041029
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
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-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine
CID 106327431
1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
CID 114135483
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
CID 64912910
3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63251281
1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine
CID 106082659
1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077188

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane?
The IUPAC name of 4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane (CID 114137543) is 4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane.
What is the SMILES notation for 4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane?
The canonical SMILES for 4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane is CNCCCN(C)S(=O)(=O)NCCCC(C)C.
What is the InChIKey of 4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane?
The InChIKey is XKGWEGXNPVXRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2S/c1-11(2)7-5-9-13-17(15,16)14(4)10-6-8-12-3/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane?
4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane has a molecular weight of 265.42 g/mol, XLogP of 0.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane is sourced from PubChem (CID 114137543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).