N'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine

C10H23N3O2S — CID 106251137

IUPACN'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C10H23N3O2S/c1-3-10(4-2,7-11)8-12-16(14,15)13-9-5-6-9/h9,12-13H,3-8,11H2,1-2H3
InChIKeyNAVWMAWOWGJAGC-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.34
Rot. Bonds8

About N'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine

N'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine (PubChem CID 106251137) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine
PubChem CID106251137
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C10H23N3O2S/c1-3-10(4-2,7-11)8-12-16(14,15)13-9-5-6-9/h9,12-13H,3-8,11H2,1-2H3
InChIKeyNAVWMAWOWGJAGC-UHFFFAOYSA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine?
The IUPAC name of N'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine (CID 106251137) is N'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine is CCC(CC)(CN)CNS(=O)(=O)NC1CC1.
What is the InChIKey of N'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine?
The InChIKey is NAVWMAWOWGJAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-3-10(4-2,7-11)8-12-16(14,15)13-9-5-6-9/h9,12-13H,3-8,11H2,1-2H3.
What are the key properties of N'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine?
N'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine has a molecular weight of 249.38 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylsulfamoyl)-2,2-diethylpropane-1,3-diamine is sourced from PubChem (CID 106251137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).