[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane

C15H33N3O2S — CID 106058824

IUPAC[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
SMILESCCCNCCCN(C)S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C15H33N3O2S/c1-3-12-16-13-9-14-18(2)21(19,20)17-15-10-7-5-4-6-8-11-15/h15-17H,3-14H2,1-2H3
InChIKeyDVVWYIMRELRKIC-UHFFFAOYSA-N
MW319.52 g/mol
LogP2.26
Rot. Bonds9

About [[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane

[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane (PubChem CID 106058824) has the molecular formula C15H33N3O2S and a molecular weight of 319.52 g/mol. Its IUPAC name is [[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane.

Molecular Properties

Compound Name[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
PubChem CID106058824
Molecular FormulaC15H33N3O2S
Molecular Weight319.52 g/mol
Exact Mass319.23
IUPAC Name[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
SMILESCCCNCCCN(C)S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C15H33N3O2S/c1-3-12-16-13-9-14-18(2)21(19,20)17-15-10-7-5-4-6-8-11-15/h15-17H,3-14H2,1-2H3
InChIKeyDVVWYIMRELRKIC-UHFFFAOYSA-N
XLogP2.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 52.26
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

[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclohexane
CID 106091345
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane
CID 106084813
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane
CID 106092201
4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane
CID 106084544
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine
CID 106075281
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 106091151
[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane
CID 35326787
1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane
CID 114112535
7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 106074034

Frequently Asked Questions

What is the IUPAC name of [[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane?
The IUPAC name of [[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane (CID 106058824) is [[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane.
What is the SMILES notation for [[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane?
The canonical SMILES for [[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane is CCCNCCCN(C)S(=O)(=O)NC1CCCCCCC1.
What is the InChIKey of [[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane?
The InChIKey is DVVWYIMRELRKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2S/c1-3-12-16-13-9-14-18(2)21(19,20)17-15-10-7-5-4-6-8-11-15/h15-17H,3-14H2,1-2H3.
What are the key properties of [[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane?
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane has a molecular weight of 319.52 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane is sourced from PubChem (CID 106058824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).