1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane

C14H34N4O2S — CID 106095094

IUPAC1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
SMILESCC(C)NCCCN(C)S(=O)(=O)NCCCN(C)C(C)C
InChIInChI=1S/C14H34N4O2S/c1-13(2)15-9-7-12-18(6)21(19,20)16-10-8-11-17(5)14(3)4/h13-16H,7-12H2,1-6H3
InChIKeyQRTFHVRFGXJZNI-UHFFFAOYSA-N
MW322.52 g/mol
LogP0.87
Rot. Bonds12

About 1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane

1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane (PubChem CID 106095094) has the molecular formula C14H34N4O2S and a molecular weight of 322.52 g/mol. Its IUPAC name is 1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane.

Molecular Properties

Compound Name1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
PubChem CID106095094
Molecular FormulaC14H34N4O2S
Molecular Weight322.52 g/mol
Exact Mass322.24
IUPAC Name1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
SMILESCC(C)NCCCN(C)S(=O)(=O)NCCCN(C)C(C)C
InChIInChI=1S/C14H34N4O2S/c1-13(2)15-9-7-12-18(6)21(19,20)16-10-8-11-17(5)14(3)4/h13-16H,7-12H2,1-6H3
InChIKeyQRTFHVRFGXJZNI-UHFFFAOYSA-N
XLogP0.87
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 50.87
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

2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane
CID 106085328
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]ethylbenzene
CID 106060187
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-2-methylsulfanylpropane
CID 106080844
1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole
CID 106077012
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
[methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane
CID 106094131
4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole
CID 106423755
2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
CID 114138802
2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane
CID 106018827

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane?
The IUPAC name of 1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane (CID 106095094) is 1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane.
What is the SMILES notation for 1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane?
The canonical SMILES for 1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane is CC(C)NCCCN(C)S(=O)(=O)NCCCN(C)C(C)C.
What is the InChIKey of 1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane?
The InChIKey is QRTFHVRFGXJZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N4O2S/c1-13(2)15-9-7-12-18(6)21(19,20)16-10-8-11-17(5)14(3)4/h13-16H,7-12H2,1-6H3.
What are the key properties of 1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane?
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane has a molecular weight of 322.52 g/mol, XLogP of 0.87, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane is sourced from PubChem (CID 106095094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).