N-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide

C13H12N4O2S2 — CID 67120132

IUPACN-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2csc3cnc(N)nc23)c1
InChIInChI=1S/C13H12N4O2S2/c1-21(18,19)17-9-4-2-3-8(5-9)10-7-20-11-6-15-13(14)16-12(10)11/h2-7,17H,1H3,(H2,14,15,16)
InChIKeyPKSUPIFBGFCPFS-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.31
Rot. Bonds3

About N-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide

N-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide (PubChem CID 67120132) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide
PubChem CID67120132
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC NameN-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2csc3cnc(N)nc23)c1
InChIInChI=1S/C13H12N4O2S2/c1-21(18,19)17-9-4-2-3-8(5-9)10-7-20-11-6-15-13(14)16-12(10)11/h2-7,17H,1H3,(H2,14,15,16)
InChIKeyPKSUPIFBGFCPFS-UHFFFAOYSA-N
XLogP2.31
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide (CID 67120132) is N-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2csc3cnc(N)nc23)c1.
What is the InChIKey of N-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide?
The InChIKey is PKSUPIFBGFCPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-21(18,19)17-9-4-2-3-8(5-9)10-7-20-11-6-15-13(14)16-12(10)11/h2-7,17H,1H3,(H2,14,15,16).
What are the key properties of N-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide?
N-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide has a molecular weight of 320.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminothieno[3,2-d]pyrimidin-7-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 67120132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).