4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide

C12H20N2O2S2 — CID 54955424

IUPAC4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C12H20N2O2S2/c1-2-9-5-3-4-6-11(9)14-18(15,16)12-7-10(13)8-17-12/h7-9,11,14H,2-6,13H2,1H3
InChIKeyWWAUBNOLJDJERU-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.58
Rot. Bonds4

About 4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide

4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide (PubChem CID 54955424) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide
PubChem CID54955424
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C12H20N2O2S2/c1-2-9-5-3-4-6-11(9)14-18(15,16)12-7-10(13)8-17-12/h7-9,11,14H,2-6,13H2,1H3
InChIKeyWWAUBNOLJDJERU-UHFFFAOYSA-N
XLogP2.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide (CID 54955424) is 4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide is CCC1CCCCC1NS(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide?
The InChIKey is WWAUBNOLJDJERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-2-9-5-3-4-6-11(9)14-18(15,16)12-7-10(13)8-17-12/h7-9,11,14H,2-6,13H2,1H3.
What are the key properties of 4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide?
4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 54955424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).