N-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide

C7H7N3O2S2 — CID 7997212

IUPACN-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide
SMILESCS(=O)(=O)Nc1ncnc2sccc12
InChIInChI=1S/C7H7N3O2S2/c1-14(11,12)10-6-5-2-3-13-7(5)9-4-8-6/h2-4H,1H3,(H,8,9,10)
InChIKeyRFTYRLDKKDMLGC-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.06
Rot. Bonds2

About N-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide

N-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide (PubChem CID 7997212) has the molecular formula C7H7N3O2S2 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide
PubChem CID7997212
Molecular FormulaC7H7N3O2S2
Molecular Weight229.29 g/mol
Exact Mass229.00
IUPAC NameN-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide
SMILESCS(=O)(=O)Nc1ncnc2sccc12
InChIInChI=1S/C7H7N3O2S2/c1-14(11,12)10-6-5-2-3-13-7(5)9-4-8-6/h2-4H,1H3,(H,8,9,10)
InChIKeyRFTYRLDKKDMLGC-UHFFFAOYSA-N
XLogP1.06
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide?
The IUPAC name of N-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide (CID 7997212) is N-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide?
The canonical SMILES for N-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide is CS(=O)(=O)Nc1ncnc2sccc12.
What is the InChIKey of N-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide?
The InChIKey is RFTYRLDKKDMLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S2/c1-14(11,12)10-6-5-2-3-13-7(5)9-4-8-6/h2-4H,1H3,(H,8,9,10).
What are the key properties of N-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide?
N-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide has a molecular weight of 229.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-thieno[2,3-d]pyrimidin-4-ylmethanesulfonamide is sourced from PubChem (CID 7997212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).