N-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide

C9H22N2O4S2 — CID 2165189

IUPACN-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)(C)CNS(=O)(=O)CC
InChIInChI=1S/C9H22N2O4S2/c1-5-16(12,13)10-7-9(3,4)8-11-17(14,15)6-2/h10-11H,5-8H2,1-4H3
InChIKeyQJFPXIYVONHQCA-UHFFFAOYSA-N
MW286.42 g/mol
LogP-0.11
Rot. Bonds8

About N-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide

N-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide (PubChem CID 2165189) has the molecular formula C9H22N2O4S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide
PubChem CID2165189
Molecular FormulaC9H22N2O4S2
Molecular Weight286.42 g/mol
Exact Mass286.10
IUPAC NameN-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)(C)CNS(=O)(=O)CC
InChIInChI=1S/C9H22N2O4S2/c1-5-16(12,13)10-7-9(3,4)8-11-17(14,15)6-2/h10-11H,5-8H2,1-4H3
InChIKeyQJFPXIYVONHQCA-UHFFFAOYSA-N
XLogP-0.11
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide?
The IUPAC name of N-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide (CID 2165189) is N-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide?
The canonical SMILES for N-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide is CCS(=O)(=O)NCC(C)(C)CNS(=O)(=O)CC.
What is the InChIKey of N-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide?
The InChIKey is QJFPXIYVONHQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4S2/c1-5-16(12,13)10-7-9(3,4)8-11-17(14,15)6-2/h10-11H,5-8H2,1-4H3.
What are the key properties of N-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide?
N-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide has a molecular weight of 286.42 g/mol, XLogP of -0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylsulfonylamino)-2,2-dimethylpropyl]ethanesulfonamide is sourced from PubChem (CID 2165189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).