1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide

C9H15NO3S — CID 163728345

IUPAC1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide
SMILESCC1(C(=O)NS(C)(=O)=O)CC2CC21C
InChIInChI=1S/C9H15NO3S/c1-8-4-6(8)5-9(8,2)7(11)10-14(3,12)13/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyKXNANYSPLMSNDZ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.50
Rot. Bonds2

About 1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide

1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide (PubChem CID 163728345) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide
PubChem CID163728345
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide
SMILESCC1(C(=O)NS(C)(=O)=O)CC2CC21C
InChIInChI=1S/C9H15NO3S/c1-8-4-6(8)5-9(8,2)7(11)10-14(3,12)13/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyKXNANYSPLMSNDZ-UHFFFAOYSA-N
XLogP0.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide?
The IUPAC name of 1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide (CID 163728345) is 1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide is CC1(C(=O)NS(C)(=O)=O)CC2CC21C.
What is the InChIKey of 1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide?
The InChIKey is KXNANYSPLMSNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-8-4-6(8)5-9(8,2)7(11)10-14(3,12)13/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide?
1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide has a molecular weight of 217.29 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-methylsulfonylbicyclo[2.1.0]pentane-2-carboxamide is sourced from PubChem (CID 163728345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).