N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide

C12H15N3O2S2 — CID 64987841

IUPACN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide
SMILESN#Cc1c(NS(=O)(=O)CC2CC2)sc2c1CCNC2
InChIInChI=1S/C12H15N3O2S2/c13-5-10-9-3-4-14-6-11(9)18-12(10)15-19(16,17)7-8-1-2-8/h8,14-15H,1-4,6-7H2
InChIKeyMDADUDAULRYYFG-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.42
Rot. Bonds4

About N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide (PubChem CID 64987841) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide
PubChem CID64987841
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide
SMILESN#Cc1c(NS(=O)(=O)CC2CC2)sc2c1CCNC2
InChIInChI=1S/C12H15N3O2S2/c13-5-10-9-3-4-14-6-11(9)18-12(10)15-19(16,17)7-8-1-2-8/h8,14-15H,1-4,6-7H2
InChIKeyMDADUDAULRYYFG-UHFFFAOYSA-N
XLogP1.42
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide with MolForge

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Related Compounds

3-cyano-2-(sulfamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 115609043
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxane-4-sulfonamide
CID 62047729
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide
CID 114028602
1-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-cyclobutylurea
CID 116658560
N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butane-1-sulfonamide
CID 92849847
(2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide
CID 104856163
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylsulfonylpropanamide
CID 104520627
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 69258823
1-cyclohexyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
CID 61453927
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide
CID 43430836
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide
CID 43599753
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)morpholine-4-carboxamide
CID 78968803

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide (CID 64987841) is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide is N#Cc1c(NS(=O)(=O)CC2CC2)sc2c1CCNC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide?
The InChIKey is MDADUDAULRYYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c13-5-10-9-3-4-14-6-11(9)18-12(10)15-19(16,17)7-8-1-2-8/h8,14-15H,1-4,6-7H2.
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide?
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide has a molecular weight of 297.41 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 64987841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).