N-(2-methylpentan-2-yl)methanesulfonamide

C7H17NO2S — CID 89026253

IUPACN-(2-methylpentan-2-yl)methanesulfonamide
SMILESCCCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-5-6-7(2,3)8-11(4,9)10/h8H,5-6H2,1-4H3
InChIKeyMITMNGBCZOQTIR-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.11
Rot. Bonds4

About N-(2-methylpentan-2-yl)methanesulfonamide

N-(2-methylpentan-2-yl)methanesulfonamide (PubChem CID 89026253) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)methanesulfonamide
PubChem CID89026253
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-(2-methylpentan-2-yl)methanesulfonamide
SMILESCCCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-5-6-7(2,3)8-11(4,9)10/h8H,5-6H2,1-4H3
InChIKeyMITMNGBCZOQTIR-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-methylpentan-2-yl)methanesulfonamide (CID 89026253) is N-(2-methylpentan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methylpentan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-methylpentan-2-yl)methanesulfonamide is CCCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-(2-methylpentan-2-yl)methanesulfonamide?
The InChIKey is MITMNGBCZOQTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-6-7(2,3)8-11(4,9)10/h8H,5-6H2,1-4H3.
What are the key properties of N-(2-methylpentan-2-yl)methanesulfonamide?
N-(2-methylpentan-2-yl)methanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)methanesulfonamide is sourced from PubChem (CID 89026253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).