N-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine

C10H23NO2S — CID 59761857

IUPACN-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine
SMILESCCS(=O)(=O)CCN(C)CCC(C)C
InChIInChI=1S/C10H23NO2S/c1-5-14(12,13)9-8-11(4)7-6-10(2)3/h10H,5-9H2,1-4H3
InChIKeyZTZIXCRIKWPILB-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.40
Rot. Bonds7

About N-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine

N-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine (PubChem CID 59761857) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine
PubChem CID59761857
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine
SMILESCCS(=O)(=O)CCN(C)CCC(C)C
InChIInChI=1S/C10H23NO2S/c1-5-14(12,13)9-8-11(4)7-6-10(2)3/h10H,5-9H2,1-4H3
InChIKeyZTZIXCRIKWPILB-UHFFFAOYSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine (CID 59761857) is N-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine is CCS(=O)(=O)CCN(C)CCC(C)C.
What is the InChIKey of N-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine?
The InChIKey is ZTZIXCRIKWPILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-14(12,13)9-8-11(4)7-6-10(2)3/h10H,5-9H2,1-4H3.
What are the key properties of N-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine?
N-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 59761857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).