N-tert-butyl-1-cyclobutylmethanesulfonamide

C9H19NO2S — CID 134204065

IUPACN-tert-butyl-1-cyclobutylmethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)CC1CCC1
InChIInChI=1S/C9H19NO2S/c1-9(2,3)10-13(11,12)7-8-5-4-6-8/h8,10H,4-7H2,1-3H3
InChIKeySQCLMVVJHZBYMP-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.50
Rot. Bonds3

About N-tert-butyl-1-cyclobutylmethanesulfonamide

N-tert-butyl-1-cyclobutylmethanesulfonamide (PubChem CID 134204065) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-tert-butyl-1-cyclobutylmethanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-cyclobutylmethanesulfonamide
PubChem CID134204065
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-tert-butyl-1-cyclobutylmethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)CC1CCC1
InChIInChI=1S/C9H19NO2S/c1-9(2,3)10-13(11,12)7-8-5-4-6-8/h8,10H,4-7H2,1-3H3
InChIKeySQCLMVVJHZBYMP-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-cyclobutylmethanesulfonamide?
The IUPAC name of N-tert-butyl-1-cyclobutylmethanesulfonamide (CID 134204065) is N-tert-butyl-1-cyclobutylmethanesulfonamide.
What is the SMILES notation for N-tert-butyl-1-cyclobutylmethanesulfonamide?
The canonical SMILES for N-tert-butyl-1-cyclobutylmethanesulfonamide is CC(C)(C)NS(=O)(=O)CC1CCC1.
What is the InChIKey of N-tert-butyl-1-cyclobutylmethanesulfonamide?
The InChIKey is SQCLMVVJHZBYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2,3)10-13(11,12)7-8-5-4-6-8/h8,10H,4-7H2,1-3H3.
What are the key properties of N-tert-butyl-1-cyclobutylmethanesulfonamide?
N-tert-butyl-1-cyclobutylmethanesulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-cyclobutylmethanesulfonamide is sourced from PubChem (CID 134204065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).