N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane;molecular hydrogen

C9H25NO2S — CID 171628260

IUPACN-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane;molecular hydrogen
SMILESCC.CC(NS(C)(=O)=O)C(C)(C)C.[H][H]
InChIInChI=1S/C7H17NO2S.C2H6.H2/c1-6(7(2,3)4)8-11(5,9)10;1-2;/h6,8H,1-5H3;1-2H3;1H
InChIKeyUQVANELBUKNLMV-UHFFFAOYSA-N
MW211.37 g/mol
LogP2.24
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane;molecular hydrogen

N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane;molecular hydrogen (PubChem CID 171628260) has the molecular formula C9H25NO2S and a molecular weight of 211.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane;molecular hydrogen
PubChem CID171628260
Molecular FormulaC9H25NO2S
Molecular Weight211.37 g/mol
Exact Mass211.16
IUPAC NameN-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane;molecular hydrogen
SMILESCC.CC(NS(C)(=O)=O)C(C)(C)C.[H][H]
InChIInChI=1S/C7H17NO2S.C2H6.H2/c1-6(7(2,3)4)8-11(5,9)10;1-2;/h6,8H,1-5H3;1-2H3;1H
InChIKeyUQVANELBUKNLMV-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 52.24
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)methanesulfonamide;ethane;molecular hydrogen?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane;molecular hydrogen (CID 171628260) is N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane;molecular hydrogen.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane;molecular hydrogen?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane;molecular hydrogen is CC.CC(NS(C)(=O)=O)C(C)(C)C.[H][H].
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane;molecular hydrogen?
The InChIKey is UQVANELBUKNLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S.C2H6.H2/c1-6(7(2,3)4)8-11(5,9)10;1-2;/h6,8H,1-5H3;1-2H3;1H.
What are the key properties of N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane;molecular hydrogen?
N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane;molecular hydrogen has a molecular weight of 211.37 g/mol, XLogP of 2.24, 2 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)methanesulfonamide;ethane;molecular hydrogen is sourced from PubChem (CID 171628260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).