2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane

C10H25N3O2S — CID 52576081

IUPAC2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane
SMILESCC(C)N(CCNS(=O)(=O)N(C)C)C(C)C
InChIInChI=1S/C10H25N3O2S/c1-9(2)13(10(3)4)8-7-11-16(14,15)12(5)6/h9-11H,7-8H2,1-6H3
InChIKeySZPHHOWCQVNDRR-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.50
Rot. Bonds7

About 2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane

2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane (PubChem CID 52576081) has the molecular formula C10H25N3O2S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane.

Molecular Properties

Compound Name2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane
PubChem CID52576081
Molecular FormulaC10H25N3O2S
Molecular Weight251.40 g/mol
Exact Mass251.17
IUPAC Name2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane
SMILESCC(C)N(CCNS(=O)(=O)N(C)C)C(C)C
InChIInChI=1S/C10H25N3O2S/c1-9(2)13(10(3)4)8-7-11-16(14,15)12(5)6/h9-11H,7-8H2,1-6H3
InChIKeySZPHHOWCQVNDRR-UHFFFAOYSA-N
XLogP0.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane?
The IUPAC name of 2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane (CID 52576081) is 2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane.
What is the SMILES notation for 2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane?
The canonical SMILES for 2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane is CC(C)N(CCNS(=O)(=O)N(C)C)C(C)C.
What is the InChIKey of 2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane?
The InChIKey is SZPHHOWCQVNDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S/c1-9(2)13(10(3)4)8-7-11-16(14,15)12(5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane?
2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane has a molecular weight of 251.40 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylsulfamoylamino)ethyl-propan-2-ylamino]propane is sourced from PubChem (CID 52576081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).