N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide

C15H18N2O2S2 — CID 106266905

IUPACN-(1-adamantyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C15H18N2O2S2/c16-9-13-1-2-14(20-13)21(18,19)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12,17H,3-8H2
InChIKeyWKPIOIHTKMPJEQ-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.87
Rot. Bonds3

About N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide

N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide (PubChem CID 106266905) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-cyanothiophene-2-sulfonamide
PubChem CID106266905
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-(1-adamantyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C15H18N2O2S2/c16-9-13-1-2-14(20-13)21(18,19)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12,17H,3-8H2
InChIKeyWKPIOIHTKMPJEQ-UHFFFAOYSA-N
XLogP2.87
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide (CID 106266905) is N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide?
The InChIKey is WKPIOIHTKMPJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c16-9-13-1-2-14(20-13)21(18,19)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12,17H,3-8H2.
What are the key properties of N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide?
N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide has a molecular weight of 322.46 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 106266905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).