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

C8H21N3O2S — CID 43136956

IUPACN'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)S(=O)(=O)N(C)C
InChIInChI=1S/C8H21N3O2S/c1-8(2)11(7-5-6-9)14(12,13)10(3)4/h8H,5-7,9H2,1-4H3
InChIKeyBONWWVBLHPCQIR-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.15
Rot. Bonds6

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

N'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 43136956) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is N'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID43136956
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC NameN'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)S(=O)(=O)N(C)C
InChIInChI=1S/C8H21N3O2S/c1-8(2)11(7-5-6-9)14(12,13)10(3)4/h8H,5-7,9H2,1-4H3
InChIKeyBONWWVBLHPCQIR-UHFFFAOYSA-N
XLogP-0.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine (CID 43136956) is N'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(CCCN)S(=O)(=O)N(C)C.
What is the InChIKey of N'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is BONWWVBLHPCQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-8(2)11(7-5-6-9)14(12,13)10(3)4/h8H,5-7,9H2,1-4H3.
What are the key properties of N'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 223.34 g/mol, XLogP of -0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(dimethylsulfamoyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 43136956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).