5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide

C8H11N5O2S2 — CID 106081043

IUPAC5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2nncs2)c[nH]1
InChIInChI=1S/C8H11N5O2S2/c1-9-3-6-2-7(4-10-6)17(14,15)13-8-12-11-5-16-8/h2,4-5,9-10H,3H2,1H3,(H,12,13)
InChIKeyJAEFEPZIODTVSI-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.39
Rot. Bonds5

About 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide

5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 106081043) has the molecular formula C8H11N5O2S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
PubChem CID106081043
Molecular FormulaC8H11N5O2S2
Molecular Weight273.34 g/mol
Exact Mass273.04
IUPAC Name5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2nncs2)c[nH]1
InChIInChI=1S/C8H11N5O2S2/c1-9-3-6-2-7(4-10-6)17(14,15)13-8-12-11-5-16-8/h2,4-5,9-10H,3H2,1H3,(H,12,13)
InChIKeyJAEFEPZIODTVSI-UHFFFAOYSA-N
XLogP0.39
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
CID 106081287
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106082947
N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058909
5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide
CID 106081269
4-ethoxy-3-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081343
N-(cyclobutylmethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106024324
N-(2-bromo-4-methylphenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106042562
5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106218637
N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106004740
4-[3-(methylamino)propyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081042
N-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106053269
N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 114142335

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide (CID 106081043) is 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2nncs2)c[nH]1.
What is the InChIKey of 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is JAEFEPZIODTVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S2/c1-9-3-6-2-7(4-10-6)17(14,15)13-8-12-11-5-16-8/h2,4-5,9-10H,3H2,1H3,(H,12,13).
What are the key properties of 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide?
5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 273.34 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106081043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).