N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide

C7H11NO3S — CID 175780664

IUPACN-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCS(=O)(=O)NC(=O)C12CC(C1)C2
InChIInChI=1S/C7H11NO3S/c1-12(10,11)8-6(9)7-2-5(3-7)4-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyKASMADIWEIKHPF-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.14
Rot. Bonds2

About N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide

N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 175780664) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide
PubChem CID175780664
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC NameN-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCS(=O)(=O)NC(=O)C12CC(C1)C2
InChIInChI=1S/C7H11NO3S/c1-12(10,11)8-6(9)7-2-5(3-7)4-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyKASMADIWEIKHPF-UHFFFAOYSA-N
XLogP-0.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide (CID 175780664) is N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide is CS(=O)(=O)NC(=O)C12CC(C1)C2.
What is the InChIKey of N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is KASMADIWEIKHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-12(10,11)8-6(9)7-2-5(3-7)4-7/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide?
N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 189.24 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 175780664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).