2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine

C8H21N3O2S — CID 114804144

IUPAC2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine
SMILESCCCNS(=O)(=O)NCC(C)(C)CN
InChIInChI=1S/C8H21N3O2S/c1-4-5-10-14(12,13)11-7-8(2,3)6-9/h10-11H,4-7,9H2,1-3H3
InChIKeyUXFICZAZRXJMJZ-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.19
Rot. Bonds7

About 2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine

2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine (PubChem CID 114804144) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine
PubChem CID114804144
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC Name2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine
SMILESCCCNS(=O)(=O)NCC(C)(C)CN
InChIInChI=1S/C8H21N3O2S/c1-4-5-10-14(12,13)11-7-8(2,3)6-9/h10-11H,4-7,9H2,1-3H3
InChIKeyUXFICZAZRXJMJZ-UHFFFAOYSA-N
XLogP-0.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(propylsulfamoyl)butane-1,4-diamine
CID 106141642
2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine
CID 114803671
2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine
CID 114812909
ethyl 2-(propylsulfamoylamino)acetate
CID 59773974
N-(3-amino-2,2-dimethylpropyl)-1,1-difluoromethanesulfonamide
CID 115365904
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
3-methyl-3-(propylsulfamoylamino)pentan-1-ol
CID 106169596
2,2-dimethyl-N-(methylsulfamoyl)pentane-1,5-diamine
CID 106141802
N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine
CID 106251175
N-(3-amino-2,2-dimethylpropyl)cyclobutanesulfonamide
CID 115270992
3-ethyl-1-(propylsulfamoylamino)pentan-2-ol
CID 106288196
N-(propylsulfamoyl)pent-3-yn-1-amine
CID 114812608

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine (CID 114804144) is 2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine is CCCNS(=O)(=O)NCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine?
The InChIKey is UXFICZAZRXJMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-4-5-10-14(12,13)11-7-8(2,3)6-9/h10-11H,4-7,9H2,1-3H3.
What are the key properties of 2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine?
2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine has a molecular weight of 223.34 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine is sourced from PubChem (CID 114804144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).