N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide

C10H14N2O2S2 — CID 55206830

IUPACN-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)N(CCC#N)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H14N2O2S2/c1-9(2)12(7-4-6-11)16(13,14)10-5-3-8-15-10/h3,5,8-9H,4,7H2,1-2H3
InChIKeyZNAYXYAIAAENGS-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.06
Rot. Bonds5

About N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide

N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 55206830) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID55206830
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC NameN-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)N(CCC#N)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H14N2O2S2/c1-9(2)12(7-4-6-11)16(13,14)10-5-3-8-15-10/h3,5,8-9H,4,7H2,1-2H3
InChIKeyZNAYXYAIAAENGS-UHFFFAOYSA-N
XLogP2.06
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide (CID 55206830) is N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide is CC(C)N(CCC#N)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is ZNAYXYAIAAENGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-9(2)12(7-4-6-11)16(13,14)10-5-3-8-15-10/h3,5,8-9H,4,7H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide?
N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 258.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 55206830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).