N-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide

C11H17NO3S — CID 136512475

IUPACN-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1C2CCCC21
InChIInChI=1S/C11H17NO3S/c13-11(10-8-2-1-3-9(8)10)12-7-4-5-16(14,15)6-7/h7-10H,1-6H2,(H,12,13)
InChIKeyJRLSUYORIUFZIT-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.34
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide

N-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 136512475) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID136512475
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1C2CCCC21
InChIInChI=1S/C11H17NO3S/c13-11(10-8-2-1-3-9(8)10)12-7-4-5-16(14,15)6-7/h7-10H,1-6H2,(H,12,13)
InChIKeyJRLSUYORIUFZIT-UHFFFAOYSA-N
XLogP0.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide (CID 136512475) is N-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide is O=C(NC1CCS(=O)(=O)C1)C1C2CCCC21.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is JRLSUYORIUFZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c13-11(10-8-2-1-3-9(8)10)12-7-4-5-16(14,15)6-7/h7-10H,1-6H2,(H,12,13).
What are the key properties of N-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 136512475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).