N'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine

C10H25N3O2S — CID 43136964

IUPACN'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCN(CC)S(=O)(=O)N(CCCN)C(C)C
InChIInChI=1S/C10H25N3O2S/c1-5-12(6-2)16(14,15)13(10(3)4)9-7-8-11/h10H,5-9,11H2,1-4H3
InChIKeyONYRTEMMQZRAHX-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.63
Rot. Bonds8

About N'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine

N'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 43136964) has the molecular formula C10H25N3O2S and a molecular weight of 251.40 g/mol. Its IUPAC name is N'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID43136964
Molecular FormulaC10H25N3O2S
Molecular Weight251.40 g/mol
Exact Mass251.17
IUPAC NameN'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCCN(CC)S(=O)(=O)N(CCCN)C(C)C
InChIInChI=1S/C10H25N3O2S/c1-5-12(6-2)16(14,15)13(10(3)4)9-7-8-11/h10H,5-9,11H2,1-4H3
InChIKeyONYRTEMMQZRAHX-UHFFFAOYSA-N
XLogP0.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine (CID 43136964) is N'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine is CCN(CC)S(=O)(=O)N(CCCN)C(C)C.
What is the InChIKey of N'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is ONYRTEMMQZRAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S/c1-5-12(6-2)16(14,15)13(10(3)4)9-7-8-11/h10H,5-9,11H2,1-4H3.
What are the key properties of N'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 251.40 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(diethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 43136964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).