1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide

C13H20N2O2S2 — CID 71909495

IUPAC1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide
SMILESCCc1sc(C(C)NS(=O)(=O)C(C#N)CC)cc1C
InChIInChI=1S/C13H20N2O2S2/c1-5-11(8-14)19(16,17)15-10(4)13-7-9(3)12(6-2)18-13/h7,10-11,15H,5-6H2,1-4H3
InChIKeyRFGMRZFRFVSBLM-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.90
Rot. Bonds6

About 1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide

1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide (PubChem CID 71909495) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide
PubChem CID71909495
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide
SMILESCCc1sc(C(C)NS(=O)(=O)C(C#N)CC)cc1C
InChIInChI=1S/C13H20N2O2S2/c1-5-11(8-14)19(16,17)15-10(4)13-7-9(3)12(6-2)18-13/h7,10-11,15H,5-6H2,1-4H3
InChIKeyRFGMRZFRFVSBLM-UHFFFAOYSA-N
XLogP2.90
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide (CID 71909495) is 1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide is CCc1sc(C(C)NS(=O)(=O)C(C#N)CC)cc1C.
What is the InChIKey of 1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide?
The InChIKey is RFGMRZFRFVSBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-5-11(8-14)19(16,17)15-10(4)13-7-9(3)12(6-2)18-13/h7,10-11,15H,5-6H2,1-4H3.
What are the key properties of 1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide?
1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide has a molecular weight of 300.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 71909495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).