5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide

C11H16N2O3S2 — CID 114166270

IUPAC5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H16N2O3S2/c1-3-4-9(8-16-2)13-18(14,15)11-6-5-10(7-12)17-11/h5-6,9,13H,3-4,8H2,1-2H3
InChIKeyBAEAWOKSZOUOSD-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.71
Rot. Bonds7

About 5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide

5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide (PubChem CID 114166270) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide
PubChem CID114166270
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H16N2O3S2/c1-3-4-9(8-16-2)13-18(14,15)11-6-5-10(7-12)17-11/h5-6,9,13H,3-4,8H2,1-2H3
InChIKeyBAEAWOKSZOUOSD-UHFFFAOYSA-N
XLogP1.71
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide
CID 106266731
5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide
CID 106269838
N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106068483
5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide
CID 106266016
5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide
CID 106158237
2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 106265664
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 106265938
(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid
CID 106265686
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106269433
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide (CID 114166270) is 5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide is CCCC(COC)NS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide?
The InChIKey is BAEAWOKSZOUOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-3-4-9(8-16-2)13-18(14,15)11-6-5-10(7-12)17-11/h5-6,9,13H,3-4,8H2,1-2H3.
What are the key properties of 5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide?
5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1-methoxypentan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114166270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).