N-(3,3-dimethylbutan-2-yl)ethanesulfonamide

C8H19NO2S — CID 22201544

IUPACN-(3,3-dimethylbutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)C(C)(C)C
InChIInChI=1S/C8H19NO2S/c1-6-12(10,11)9-7(2)8(3,4)5/h7,9H,6H2,1-5H3
InChIKeyCLDKRSQMLOPQKF-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.36
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)ethanesulfonamide

N-(3,3-dimethylbutan-2-yl)ethanesulfonamide (PubChem CID 22201544) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)ethanesulfonamide
PubChem CID22201544
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-(3,3-dimethylbutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)C(C)(C)C
InChIInChI=1S/C8H19NO2S/c1-6-12(10,11)9-7(2)8(3,4)5/h7,9H,6H2,1-5H3
InChIKeyCLDKRSQMLOPQKF-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)ethanesulfonamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)ethanesulfonamide (CID 22201544) is N-(3,3-dimethylbutan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)ethanesulfonamide is CCS(=O)(=O)NC(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)ethanesulfonamide?
The InChIKey is CLDKRSQMLOPQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-6-12(10,11)9-7(2)8(3,4)5/h7,9H,6H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)ethanesulfonamide?
N-(3,3-dimethylbutan-2-yl)ethanesulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)ethanesulfonamide is sourced from PubChem (CID 22201544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).