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

C9H13N5O2S2 — CID 106081287

IUPAC5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2nncs2)c[nH]1
InChIInChI=1S/C9H13N5O2S2/c1-2-10-4-7-3-8(5-11-7)18(15,16)14-9-13-12-6-17-9/h3,5-6,10-11H,2,4H2,1H3,(H,13,14)
InChIKeyNKTHBPMRZPZFTB-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.78
Rot. Bonds6

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

5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 106081287) has the molecular formula C9H13N5O2S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
PubChem CID106081287
Molecular FormulaC9H13N5O2S2
Molecular Weight287.37 g/mol
Exact Mass287.05
IUPAC Name5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2nncs2)c[nH]1
InChIInChI=1S/C9H13N5O2S2/c1-2-10-4-7-3-8(5-11-7)18(15,16)14-9-13-12-6-17-9/h3,5-6,10-11H,2,4H2,1H3,(H,13,14)
InChIKeyNKTHBPMRZPZFTB-UHFFFAOYSA-N
XLogP0.78
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
CID 106081043
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106083008
5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106061783
N-(3,5-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058974
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106066981
5-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106018447
5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 106086968
N-(5-methyl-1,3-thiazol-2-yl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106061086
N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106031189
5-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106056158
5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 107495787
5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
CID 114141138

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide (CID 106081287) is 5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2nncs2)c[nH]1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is NKTHBPMRZPZFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S2/c1-2-10-4-7-3-8(5-11-7)18(15,16)14-9-13-12-6-17-9/h3,5-6,10-11H,2,4H2,1H3,(H,13,14).
What are the key properties of 5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106081287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).