3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine

C11H26N2O2S — CID 79849894

IUPAC3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine
SMILESCCNC(CC)C(C)N(C)CCS(C)(=O)=O
InChIInChI=1S/C11H26N2O2S/c1-6-11(12-7-2)10(3)13(4)8-9-16(5,14)15/h10-12H,6-9H2,1-5H3
InChIKeyXJXITUIMTDIBCK-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.74
Rot. Bonds8

About 3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine

3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine (PubChem CID 79849894) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine
PubChem CID79849894
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC Name3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine
SMILESCCNC(CC)C(C)N(C)CCS(C)(=O)=O
InChIInChI=1S/C11H26N2O2S/c1-6-11(12-7-2)10(3)13(4)8-9-16(5,14)15/h10-12H,6-9H2,1-5H3
InChIKeyXJXITUIMTDIBCK-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine?
The IUPAC name of 3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine (CID 79849894) is 3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine?
The canonical SMILES for 3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine is CCNC(CC)C(C)N(C)CCS(C)(=O)=O.
What is the InChIKey of 3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine?
The InChIKey is XJXITUIMTDIBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-6-11(12-7-2)10(3)13(4)8-9-16(5,14)15/h10-12H,6-9H2,1-5H3.
What are the key properties of 3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine?
3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine is sourced from PubChem (CID 79849894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).