N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide

C10H11N3O2S3 — CID 6459199

IUPACN-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nnc(CSc2ccccc2)s1
InChIInChI=1S/C10H11N3O2S3/c1-18(14,15)13-10-12-11-9(17-10)7-16-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13)
InChIKeyFPTKQPHIODGAJK-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.20
Rot. Bonds5

About N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide

N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (PubChem CID 6459199) has the molecular formula C10H11N3O2S3 and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
PubChem CID6459199
Molecular FormulaC10H11N3O2S3
Molecular Weight301.42 g/mol
Exact Mass301.00
IUPAC NameN-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nnc(CSc2ccccc2)s1
InChIInChI=1S/C10H11N3O2S3/c1-18(14,15)13-10-12-11-9(17-10)7-16-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13)
InChIKeyFPTKQPHIODGAJK-UHFFFAOYSA-N
XLogP2.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (CID 6459199) is N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is CS(=O)(=O)Nc1nnc(CSc2ccccc2)s1.
What is the InChIKey of N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The InChIKey is FPTKQPHIODGAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S3/c1-18(14,15)13-10-12-11-9(17-10)7-16-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13).
What are the key properties of N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide has a molecular weight of 301.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 6459199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).