N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine

C10H24N2O2S — CID 164964311

IUPACN-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine
SMILESCCN(C)CCS(=O)(=O)CCN(C)CC
InChIInChI=1S/C10H24N2O2S/c1-5-11(3)7-9-15(13,14)10-8-12(4)6-2/h5-10H2,1-4H3
InChIKeyVJBMQEHQZXAWLG-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.30
Rot. Bonds8

About N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine

N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine (PubChem CID 164964311) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine
PubChem CID164964311
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine
SMILESCCN(C)CCS(=O)(=O)CCN(C)CC
InChIInChI=1S/C10H24N2O2S/c1-5-11(3)7-9-15(13,14)10-8-12(4)6-2/h5-10H2,1-4H3
InChIKeyVJBMQEHQZXAWLG-UHFFFAOYSA-N
XLogP0.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine?
The IUPAC name of N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine (CID 164964311) is N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine.
What is the SMILES notation for N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine?
The canonical SMILES for N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine is CCN(C)CCS(=O)(=O)CCN(C)CC.
What is the InChIKey of N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine?
The InChIKey is VJBMQEHQZXAWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-5-11(3)7-9-15(13,14)10-8-12(4)6-2/h5-10H2,1-4H3.
What are the key properties of N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine?
N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine has a molecular weight of 236.38 g/mol, XLogP of 0.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[ethyl(methyl)amino]ethylsulfonyl]-N-methylethanamine is sourced from PubChem (CID 164964311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).