2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide

C13H15N3O4S2 — CID 75449611

IUPAC2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide
SMILESN#CC1(CS(=O)(=O)NC(=O)c2cc(C(N)=O)cs2)CCCC1
InChIInChI=1S/C13H15N3O4S2/c14-7-13(3-1-2-4-13)8-22(19,20)16-12(18)10-5-9(6-21-10)11(15)17/h5-6H,1-4,8H2,(H2,15,17)(H,16,18)
InChIKeyXLBSCUYVEZMHMO-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.99
Rot. Bonds5

About 2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide

2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide (PubChem CID 75449611) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide
PubChem CID75449611
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC Name2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide
SMILESN#CC1(CS(=O)(=O)NC(=O)c2cc(C(N)=O)cs2)CCCC1
InChIInChI=1S/C13H15N3O4S2/c14-7-13(3-1-2-4-13)8-22(19,20)16-12(18)10-5-9(6-21-10)11(15)17/h5-6H,1-4,8H2,(H2,15,17)(H,16,18)
InChIKeyXLBSCUYVEZMHMO-UHFFFAOYSA-N
XLogP0.99
TPSA130.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide (CID 75449611) is 2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide is N#CC1(CS(=O)(=O)NC(=O)c2cc(C(N)=O)cs2)CCCC1.
What is the InChIKey of 2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide?
The InChIKey is XLBSCUYVEZMHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c14-7-13(3-1-2-4-13)8-22(19,20)16-12(18)10-5-9(6-21-10)11(15)17/h5-6H,1-4,8H2,(H2,15,17)(H,16,18).
What are the key properties of 2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide?
2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide has a molecular weight of 341.41 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 75449611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).