N-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide

C14H23NO2S — CID 122499352

IUPACN-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCC2CC3CC(C2)C1C3)C1CC1
InChIInChI=1S/C14H23NO2S/c16-18(17,12-2-3-12)15-14-4-1-9-5-10-7-11(6-9)13(14)8-10/h9-15H,1-8H2
InChIKeyLAZOGKFBJCVTEV-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.28
Rot. Bonds3

About N-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide

N-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide (PubChem CID 122499352) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide
PubChem CID122499352
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCC2CC3CC(C2)C1C3)C1CC1
InChIInChI=1S/C14H23NO2S/c16-18(17,12-2-3-12)15-14-4-1-9-5-10-7-11(6-9)13(14)8-10/h9-15H,1-8H2
InChIKeyLAZOGKFBJCVTEV-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide?
The IUPAC name of N-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide (CID 122499352) is N-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide?
The canonical SMILES for N-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide is O=S(=O)(NC1CCC2CC3CC(C2)C1C3)C1CC1.
What is the InChIKey of N-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide?
The InChIKey is LAZOGKFBJCVTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c16-18(17,12-2-3-12)15-14-4-1-9-5-10-7-11(6-9)13(14)8-10/h9-15H,1-8H2.
What are the key properties of N-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide?
N-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide has a molecular weight of 269.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tricyclo[5.3.1.03,9]undecanyl)cyclopropanesulfonamide is sourced from PubChem (CID 122499352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).