[3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane

C13H29N3O2S — CID 106331865

IUPAC[3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane
SMILESCCC(C)(CC)NS(=O)(=O)N(C)CCCNC1CC1
InChIInChI=1S/C13H29N3O2S/c1-5-13(3,6-2)15-19(17,18)16(4)11-7-10-14-12-8-9-12/h12,14-15H,5-11H2,1-4H3
InChIKeyMVAWNQDWESGWJL-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.47
Rot. Bonds10

About [3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane

[3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane (PubChem CID 106331865) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is [3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane.

Molecular Properties

Compound Name[3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane
PubChem CID106331865
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name[3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane
SMILESCCC(C)(CC)NS(=O)(=O)N(C)CCCNC1CC1
InChIInChI=1S/C13H29N3O2S/c1-5-13(3,6-2)15-19(17,18)16(4)11-7-10-14-12-8-9-12/h12,14-15H,5-11H2,1-4H3
InChIKeyMVAWNQDWESGWJL-UHFFFAOYSA-N
XLogP1.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.47
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-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106046227
[3-[1-methoxypropan-2-ylsulfamoyl(methyl)amino]propylamino]cyclopropane
CID 106056961
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane
CID 106070981
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 106091151
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5-methyl-1,3-thiazole
CID 106060914
[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
CID 106085300
1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene
CID 106057758
3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine
CID 106084052
4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole
CID 106094989
2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
CID 114138802
1-bromo-2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]benzene
CID 106051888
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1H-imidazole
CID 106069204

Frequently Asked Questions

What is the IUPAC name of [3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane?
The IUPAC name of [3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane (CID 106331865) is [3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane.
What is the SMILES notation for [3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane?
The canonical SMILES for [3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane is CCC(C)(CC)NS(=O)(=O)N(C)CCCNC1CC1.
What is the InChIKey of [3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane?
The InChIKey is MVAWNQDWESGWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-5-13(3,6-2)15-19(17,18)16(4)11-7-10-14-12-8-9-12/h12,14-15H,5-11H2,1-4H3.
What are the key properties of [3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane?
[3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane has a molecular weight of 291.46 g/mol, XLogP of 1.47, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane is sourced from PubChem (CID 106331865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).