N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine

C11H26N2O2S — CID 79668372

IUPACN'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
SMILESCCN(CCCS(C)(=O)=O)CC(C)(C)CN
InChIInChI=1S/C11H26N2O2S/c1-5-13(10-11(2,3)9-12)7-6-8-16(4,14)15/h5-10,12H2,1-4H3
InChIKeyCIOVHSUWMYVGLL-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.73
Rot. Bonds8

About N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine (PubChem CID 79668372) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
PubChem CID79668372
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
SMILESCCN(CCCS(C)(=O)=O)CC(C)(C)CN
InChIInChI=1S/C11H26N2O2S/c1-5-13(10-11(2,3)9-12)7-6-8-16(4,14)15/h5-10,12H2,1-4H3
InChIKeyCIOVHSUWMYVGLL-UHFFFAOYSA-N
XLogP0.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine (CID 79668372) is N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine is CCN(CCCS(C)(=O)=O)CC(C)(C)CN.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
The InChIKey is CIOVHSUWMYVGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-5-13(10-11(2,3)9-12)7-6-8-16(4,14)15/h5-10,12H2,1-4H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine is sourced from PubChem (CID 79668372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).