4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane

C14H33N3O2S — CID 106066730

IUPAC4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane
SMILESCCC(C)CC(C)NS(=O)(=O)N(C)CCCNC(C)C
InChIInChI=1S/C14H33N3O2S/c1-7-13(4)11-14(5)16-20(18,19)17(6)10-8-9-15-12(2)3/h12-16H,7-11H2,1-6H3
InChIKeyFWWNJVOWYJDEPQ-UHFFFAOYSA-N
MW307.50 g/mol
LogP1.97
Rot. Bonds11

About 4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane

4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane (PubChem CID 106066730) has the molecular formula C14H33N3O2S and a molecular weight of 307.50 g/mol. Its IUPAC name is 4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane.

Molecular Properties

Compound Name4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane
PubChem CID106066730
Molecular FormulaC14H33N3O2S
Molecular Weight307.50 g/mol
Exact Mass307.23
IUPAC Name4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane
SMILESCCC(C)CC(C)NS(=O)(=O)N(C)CCCNC(C)C
InChIInChI=1S/C14H33N3O2S/c1-7-13(4)11-14(5)16-20(18,19)17(6)10-8-9-15-12(2)3/h12-16H,7-11H2,1-6H3
InChIKeyFWWNJVOWYJDEPQ-UHFFFAOYSA-N
XLogP1.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 51.97
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

2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane
CID 106018827
2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
CID 114138802
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane
CID 106063912
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
2-ethoxy-2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propane
CID 106086729
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane
CID 61456363
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine
CID 106050972
2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-2-methylsulfanylpropane
CID 106080844
[methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane
CID 106094131
3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole
CID 106423755
2-chloro-5-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]thiophene
CID 106003836
3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine
CID 106021144

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane?
The IUPAC name of 4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane (CID 106066730) is 4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane.
What is the SMILES notation for 4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane?
The canonical SMILES for 4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane is CCC(C)CC(C)NS(=O)(=O)N(C)CCCNC(C)C.
What is the InChIKey of 4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane?
The InChIKey is FWWNJVOWYJDEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O2S/c1-7-13(4)11-14(5)16-20(18,19)17(6)10-8-9-15-12(2)3/h12-16H,7-11H2,1-6H3.
What are the key properties of 4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane?
4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane has a molecular weight of 307.50 g/mol, XLogP of 1.97, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane is sourced from PubChem (CID 106066730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).