N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide

C10H24N2O2S — CID 79471044

IUPACN-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)CCNC
InChIInChI=1S/C10H24N2O2S/c1-5-10(3)9-12(6-2)15(13,14)8-7-11-4/h10-11H,5-9H2,1-4H3
InChIKeyZVVHYENMTPGLRR-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.90
Rot. Bonds8

About N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide

N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide (PubChem CID 79471044) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide
PubChem CID79471044
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)CCNC
InChIInChI=1S/C10H24N2O2S/c1-5-10(3)9-12(6-2)15(13,14)8-7-11-4/h10-11H,5-9H2,1-4H3
InChIKeyZVVHYENMTPGLRR-UHFFFAOYSA-N
XLogP0.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide?
The IUPAC name of N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide (CID 79471044) is N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide?
The canonical SMILES for N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide is CCC(C)CN(CC)S(=O)(=O)CCNC.
What is the InChIKey of N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide?
The InChIKey is ZVVHYENMTPGLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-5-10(3)9-12(6-2)15(13,14)8-7-11-4/h10-11H,5-9H2,1-4H3.
What are the key properties of N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide?
N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide has a molecular weight of 236.38 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methylamino)-N-(2-methylbutyl)ethanesulfonamide is sourced from PubChem (CID 79471044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).