5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide

C12H18N4O3S — CID 106378199

IUPAC5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ncc(C)o2)cc1CN
InChIInChI=1S/C12H18N4O3S/c1-3-16-8-11(4-10(16)5-13)20(17,18)15-7-12-14-6-9(2)19-12/h4,6,8,15H,3,5,7,13H2,1-2H3
InChIKeyJMRVHXLEWUEWIP-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.74
Rot. Bonds6

About 5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide

5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide (PubChem CID 106378199) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide
PubChem CID106378199
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ncc(C)o2)cc1CN
InChIInChI=1S/C12H18N4O3S/c1-3-16-8-11(4-10(16)5-13)20(17,18)15-7-12-14-6-9(2)19-12/h4,6,8,15H,3,5,7,13H2,1-2H3
InChIKeyJMRVHXLEWUEWIP-UHFFFAOYSA-N
XLogP0.74
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide
CID 107658144
3-(aminomethyl)-4-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378093
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-4-sulfonamide
CID 114180923
4-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369102
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378096
5-(aminomethyl)-1-ethyl-N-(5-methyl-3-pyridinyl)pyrrole-3-sulfonamide
CID 106087981
1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide
CID 106378170
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106373792
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrrole-3-sulfonamide
CID 106079056
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide (CID 106378199) is 5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NCc2ncc(C)o2)cc1CN.
What is the InChIKey of 5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide?
The InChIKey is JMRVHXLEWUEWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-3-16-8-11(4-10(16)5-13)20(17,18)15-7-12-14-6-9(2)19-12/h4,6,8,15H,3,5,7,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide?
5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 106378199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).