[methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane

C14H32N4O2S — CID 106094131

IUPAC[methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane
SMILESCC(C)NCCCN(C)S(=O)(=O)NCC(C)N(C)C1CC1
InChIInChI=1S/C14H32N4O2S/c1-12(2)15-9-6-10-17(4)21(19,20)16-11-13(3)18(5)14-7-8-14/h12-16H,6-11H2,1-5H3
InChIKeyBAPWCUFTTKEOAA-UHFFFAOYSA-N
MW320.50 g/mol
LogP0.62
Rot. Bonds11

About [methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane

[methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane (PubChem CID 106094131) has the molecular formula C14H32N4O2S and a molecular weight of 320.50 g/mol. Its IUPAC name is [methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane.

Molecular Properties

Compound Name[methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane
PubChem CID106094131
Molecular FormulaC14H32N4O2S
Molecular Weight320.50 g/mol
Exact Mass320.22
IUPAC Name[methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane
SMILESCC(C)NCCCN(C)S(=O)(=O)NCC(C)N(C)C1CC1
InChIInChI=1S/C14H32N4O2S/c1-12(2)15-9-6-10-17(4)21(19,20)16-11-13(3)18(5)14-7-8-14/h12-16H,6-11H2,1-5H3
InChIKeyBAPWCUFTTKEOAA-UHFFFAOYSA-N
XLogP0.62
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane
CID 106063912
2-ethoxy-2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propane
CID 106086729
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane
CID 106067712
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 113476469
N'-cyclopropyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852014
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-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-2-methylsulfanylpropane
CID 106080844
2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane
CID 106085328
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene
CID 106094609

Frequently Asked Questions

What is the IUPAC name of [methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane?
The IUPAC name of [methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane (CID 106094131) is [methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane.
What is the SMILES notation for [methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane?
The canonical SMILES for [methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane is CC(C)NCCCN(C)S(=O)(=O)NCC(C)N(C)C1CC1.
What is the InChIKey of [methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane?
The InChIKey is BAPWCUFTTKEOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O2S/c1-12(2)15-9-6-10-17(4)21(19,20)16-11-13(3)18(5)14-7-8-14/h12-16H,6-11H2,1-5H3.
What are the key properties of [methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane?
[methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane has a molecular weight of 320.50 g/mol, XLogP of 0.62, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane is sourced from PubChem (CID 106094131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).