1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane

C13H32N4O2S — CID 106041029

IUPAC1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
SMILESCNCCCN(C)S(=O)(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C13H32N4O2S/c1-12(2)17(13(3)4)11-9-15-20(18,19)16(6)10-7-8-14-5/h12-15H,7-11H2,1-6H3
InChIKeyNHEMKEUGDGPFTE-UHFFFAOYSA-N
MW308.49 g/mol
LogP0.48
Rot. Bonds11

About 1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane

1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane (PubChem CID 106041029) has the molecular formula C13H32N4O2S and a molecular weight of 308.49 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
PubChem CID106041029
Molecular FormulaC13H32N4O2S
Molecular Weight308.49 g/mol
Exact Mass308.22
IUPAC Name1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
SMILESCNCCCN(C)S(=O)(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C13H32N4O2S/c1-12(2)17(13(3)4)11-9-15-20(18,19)16(6)10-7-8-14-5/h12-15H,7-11H2,1-6H3
InChIKeyNHEMKEUGDGPFTE-UHFFFAOYSA-N
XLogP0.48
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 50.48
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

4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane
CID 106094290
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 113476469
1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine
CID 106082659
4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine
CID 106327431
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
CID 114135483
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
ethane;N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 142040763
1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077188
1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
CID 106088303

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane (CID 106041029) is 1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane is CNCCCN(C)S(=O)(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane?
The InChIKey is NHEMKEUGDGPFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N4O2S/c1-12(2)17(13(3)4)11-9-15-20(18,19)16(6)10-7-8-14-5/h12-15H,7-11H2,1-6H3.
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane?
1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane has a molecular weight of 308.49 g/mol, XLogP of 0.48, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane is sourced from PubChem (CID 106041029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).