N-tert-butylmethanesulfonamide

C5H13NO2S — CID 4130162

IUPACN-tert-butylmethanesulfonamide
SMILESCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-5(2,3)6-9(4,7)8/h6H,1-4H3
InChIKeyQREUVFUHSLREHM-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.33
Rot. Bonds1

About N-tert-butylmethanesulfonamide

N-tert-butylmethanesulfonamide (PubChem CID 4130162) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is N-tert-butylmethanesulfonamide.

Molecular Properties

Compound NameN-tert-butylmethanesulfonamide
PubChem CID4130162
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC NameN-tert-butylmethanesulfonamide
SMILESCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-5(2,3)6-9(4,7)8/h6H,1-4H3
InChIKeyQREUVFUHSLREHM-UHFFFAOYSA-N
XLogP0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylmethanesulfonamide?
The IUPAC name of N-tert-butylmethanesulfonamide (CID 4130162) is N-tert-butylmethanesulfonamide.
What is the SMILES notation for N-tert-butylmethanesulfonamide?
The canonical SMILES for N-tert-butylmethanesulfonamide is CC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-tert-butylmethanesulfonamide?
The InChIKey is QREUVFUHSLREHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(2,3)6-9(4,7)8/h6H,1-4H3.
What are the key properties of N-tert-butylmethanesulfonamide?
N-tert-butylmethanesulfonamide has a molecular weight of 151.23 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylmethanesulfonamide is sourced from PubChem (CID 4130162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).