5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide

C11H14N2O2S2 — CID 114166495

IUPAC5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide
SMILESCC1(C)CC1CNS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H14N2O2S2/c1-11(2)5-8(11)7-13-17(14,15)10-4-3-9(6-12)16-10/h3-4,8,13H,5,7H2,1-2H3
InChIKeyKLLNBVAIKKVLLD-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.94
Rot. Bonds4

About 5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide

5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide (PubChem CID 114166495) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide
PubChem CID114166495
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide
SMILESCC1(C)CC1CNS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H14N2O2S2/c1-11(2)5-8(11)7-13-17(14,15)10-4-3-9(6-12)16-10/h3-4,8,13H,5,7H2,1-2H3
InChIKeyKLLNBVAIKKVLLD-UHFFFAOYSA-N
XLogP1.94
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-(cyclopentylmethyl)thiophene-2-sulfonamide
CID 106267298
5-cyano-N-[(2-hydroxycyclopentyl)methyl]thiophene-2-sulfonamide
CID 106268476
5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide
CID 106269750
5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide
CID 106268895
5-cyano-N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 106267926
3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103659810
5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 106269709
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103833642
4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103721136
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide
CID 106266905

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide (CID 114166495) is 5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide is CC1(C)CC1CNS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide?
The InChIKey is KLLNBVAIKKVLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-11(2)5-8(11)7-13-17(14,15)10-4-3-9(6-12)16-10/h3-4,8,13H,5,7H2,1-2H3.
What are the key properties of 5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide?
5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide has a molecular weight of 270.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 114166495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).