N-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide

C8H16N2O2S — CID 121360923

IUPACN-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide
SMILESCNC12CC(CNS(C)(=O)=O)(C1)C2
InChIInChI=1S/C8H16N2O2S/c1-9-8-3-7(4-8,5-8)6-10-13(2,11)12/h9-10H,3-6H2,1-2H3
InChIKeyVJHATFAVXZJTHA-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.32
Rot. Bonds4

About N-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide

N-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide (PubChem CID 121360923) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide
PubChem CID121360923
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide
SMILESCNC12CC(CNS(C)(=O)=O)(C1)C2
InChIInChI=1S/C8H16N2O2S/c1-9-8-3-7(4-8,5-8)6-10-13(2,11)12/h9-10H,3-6H2,1-2H3
InChIKeyVJHATFAVXZJTHA-UHFFFAOYSA-N
XLogP-0.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide (CID 121360923) is N-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide is CNC12CC(CNS(C)(=O)=O)(C1)C2.
What is the InChIKey of N-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide?
The InChIKey is VJHATFAVXZJTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-9-8-3-7(4-8,5-8)6-10-13(2,11)12/h9-10H,3-6H2,1-2H3.
What are the key properties of N-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide?
N-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide has a molecular weight of 204.29 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide is sourced from PubChem (CID 121360923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).