N-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide

C6H11NO2S — CID 170120266

IUPACN-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide
SMILESCS(=O)(=O)NC12CC(C1)C2
InChIInChI=1S/C6H11NO2S/c1-10(8,9)7-6-2-5(3-6)4-6/h5,7H,2-4H2,1H3
InChIKeyWPOCUQARPUCUJY-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.09
Rot. Bonds2

About N-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide

N-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide (PubChem CID 170120266) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide
PubChem CID170120266
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide
SMILESCS(=O)(=O)NC12CC(C1)C2
InChIInChI=1S/C6H11NO2S/c1-10(8,9)7-6-2-5(3-6)4-6/h5,7H,2-4H2,1H3
InChIKeyWPOCUQARPUCUJY-UHFFFAOYSA-N
XLogP0.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide (CID 170120266) is N-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide is CS(=O)(=O)NC12CC(C1)C2.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide?
The InChIKey is WPOCUQARPUCUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-10(8,9)7-6-2-5(3-6)4-6/h5,7H,2-4H2,1H3.
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide?
N-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide has a molecular weight of 161.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)methanesulfonamide is sourced from PubChem (CID 170120266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).