[3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane

C12H27N3O2S — CID 106046227

IUPAC[3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane
SMILESCCCC(C)NS(=O)(=O)N(C)CCCNC1CC1
InChIInChI=1S/C12H27N3O2S/c1-4-6-11(2)14-18(16,17)15(3)10-5-9-13-12-7-8-12/h11-14H,4-10H2,1-3H3
InChIKeyMDUNOKSQBJCBGJ-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.08
Rot. Bonds10

About [3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane

[3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane (PubChem CID 106046227) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is [3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane.

Molecular Properties

Compound Name[3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane
PubChem CID106046227
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name[3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane
SMILESCCCC(C)NS(=O)(=O)N(C)CCCNC1CC1
InChIInChI=1S/C12H27N3O2S/c1-4-6-11(2)14-18(16,17)15(3)10-5-9-13-12-7-8-12/h11-14H,4-10H2,1-3H3
InChIKeyMDUNOKSQBJCBGJ-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.08
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-[1-methoxypropan-2-ylsulfamoyl(methyl)amino]propylamino]cyclopropane
CID 106056961
2-[[3-aminopropyl(methyl)sulfamoyl]amino]pentane
CID 61456420
[3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106331865
[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
CID 106085300
2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane
CID 62200403
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane
CID 106084813
2-(dimethylsulfamoylamino)pentane
CID 4635587
N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine
CID 165455015
2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 106059732
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane
CID 106070981
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide
CID 106046344

Frequently Asked Questions

What is the IUPAC name of [3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane?
The IUPAC name of [3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane (CID 106046227) is [3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane.
What is the SMILES notation for [3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane?
The canonical SMILES for [3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane is CCCC(C)NS(=O)(=O)N(C)CCCNC1CC1.
What is the InChIKey of [3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane?
The InChIKey is MDUNOKSQBJCBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-4-6-11(2)14-18(16,17)15(3)10-5-9-13-12-7-8-12/h11-14H,4-10H2,1-3H3.
What are the key properties of [3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane?
[3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane has a molecular weight of 277.43 g/mol, XLogP of 1.08, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane is sourced from PubChem (CID 106046227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).