N-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C12H19FN2O2S2 — CID 146570793

IUPACN-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCN1CCc2sc(S(=O)(=O)NC(C)(C)C)c(F)c2C1
InChIInChI=1S/C12H19FN2O2S2/c1-12(2,3)14-19(16,17)11-10(13)8-7-15(4)6-5-9(8)18-11/h14H,5-7H2,1-4H3
InChIKeyXYJZHIUNEKYZFD-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.95
Rot. Bonds2

About N-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

N-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 146570793) has the molecular formula C12H19FN2O2S2 and a molecular weight of 306.43 g/mol. Its IUPAC name is N-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID146570793
Molecular FormulaC12H19FN2O2S2
Molecular Weight306.43 g/mol
Exact Mass306.09
IUPAC NameN-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCN1CCc2sc(S(=O)(=O)NC(C)(C)C)c(F)c2C1
InChIInChI=1S/C12H19FN2O2S2/c1-12(2,3)14-19(16,17)11-10(13)8-7-15(4)6-5-9(8)18-11/h14H,5-7H2,1-4H3
InChIKeyXYJZHIUNEKYZFD-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of N-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 146570793) is N-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for N-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is CN1CCc2sc(S(=O)(=O)NC(C)(C)C)c(F)c2C1.
What is the InChIKey of N-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is XYJZHIUNEKYZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S2/c1-12(2,3)14-19(16,17)11-10(13)8-7-15(4)6-5-9(8)18-11/h14H,5-7H2,1-4H3.
What are the key properties of N-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
N-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-fluoro-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 146570793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).