2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine

C13H31N3O2S — CID 62008657

IUPAC2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(C(CC)(CC)CN)S(=O)(=O)N(CC)CC
InChIInChI=1S/C13H31N3O2S/c1-6-11-16(13(7-2,8-3)12-14)19(17,18)15(9-4)10-5/h6-12,14H2,1-5H3
InChIKeyIEVIUVZWKGCOGD-UHFFFAOYSA-N
MW293.48 g/mol
LogP1.80
Rot. Bonds10

About 2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine

2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine (PubChem CID 62008657) has the molecular formula C13H31N3O2S and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine
PubChem CID62008657
Molecular FormulaC13H31N3O2S
Molecular Weight293.48 g/mol
Exact Mass293.21
IUPAC Name2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(C(CC)(CC)CN)S(=O)(=O)N(CC)CC
InChIInChI=1S/C13H31N3O2S/c1-6-11-16(13(7-2,8-3)12-14)19(17,18)15(9-4)10-5/h6-12,14H2,1-5H3
InChIKeyIEVIUVZWKGCOGD-UHFFFAOYSA-N
XLogP1.80
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine (CID 62008657) is 2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine is CCCN(C(CC)(CC)CN)S(=O)(=O)N(CC)CC.
What is the InChIKey of 2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine?
The InChIKey is IEVIUVZWKGCOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O2S/c1-6-11-16(13(7-2,8-3)12-14)19(17,18)15(9-4)10-5/h6-12,14H2,1-5H3.
What are the key properties of 2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine?
2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine has a molecular weight of 293.48 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(diethylsulfamoyl)-2-ethyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62008657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).