5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide

C10H15N5O3S — CID 106411219

IUPAC5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCc2ncno2)c[nH]1
InChIInChI=1S/C10H15N5O3S/c1-11-5-8-4-9(6-12-8)19(16,17)15-3-2-10-13-7-14-18-10/h4,6-7,11-12,15H,2-3,5H2,1H3
InChIKeyNVUFLKVJPAFBLB-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.36
Rot. Bonds7

About 5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide

5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106411219) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
PubChem CID106411219
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCc2ncno2)c[nH]1
InChIInChI=1S/C10H15N5O3S/c1-11-5-8-4-9(6-12-8)19(16,17)15-3-2-10-13-7-14-18-10/h4,6-7,11-12,15H,2-3,5H2,1H3
InChIKeyNVUFLKVJPAFBLB-UHFFFAOYSA-N
XLogP-0.36
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106402341
2-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106411220
5-(methylaminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106073600
5-(methylaminomethyl)-N-(4-methylsulfanylbutyl)-1H-pyrrole-3-sulfonamide
CID 106078000
3-(aminomethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106411175
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407859
3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106407931
2-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-sulfonamide
CID 106401561
3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392329
6-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106407903
5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106068071
N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106062049

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide (CID 106411219) is 5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NCCc2ncno2)c[nH]1.
What is the InChIKey of 5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is NVUFLKVJPAFBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-11-5-8-4-9(6-12-8)19(16,17)15-3-2-10-13-7-14-18-10/h4,6-7,11-12,15H,2-3,5H2,1H3.
What are the key properties of 5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide?
5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of -0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106411219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).