5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide

C12H16N4O3S — CID 81173672

IUPAC5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCc2ccon2)cn1C1CC1
InChIInChI=1S/C12H16N4O3S/c13-6-11-5-12(8-16(11)10-1-2-10)20(17,18)14-7-9-3-4-19-15-9/h3-5,8,10,14H,1-2,6-7,13H2
InChIKeyDLIOEIHGVSUGJZ-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.75
Rot. Bonds6

About 5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide (PubChem CID 81173672) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide
PubChem CID81173672
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCc2ccon2)cn1C1CC1
InChIInChI=1S/C12H16N4O3S/c13-6-11-5-12(8-16(11)10-1-2-10)20(17,18)14-7-9-3-4-19-15-9/h3-5,8,10,14H,1-2,6-7,13H2
InChIKeyDLIOEIHGVSUGJZ-UHFFFAOYSA-N
XLogP0.75
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106024800
5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106060831
1-methyl-N-(1,2-oxazol-3-ylmethyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 81176980
5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
CID 106076278
2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide
CID 81176880
5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide
CID 114551930
5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051402
4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81170213
4-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176602
5-chloro-6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyridine-3-sulfonamide
CID 81177707
2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477364
2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81169956

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide (CID 81173672) is 5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide is NCc1cc(S(=O)(=O)NCc2ccon2)cn1C1CC1.
What is the InChIKey of 5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide?
The InChIKey is DLIOEIHGVSUGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c13-6-11-5-12(8-16(11)10-1-2-10)20(17,18)14-7-9-3-4-19-15-9/h3-5,8,10,14H,1-2,6-7,13H2.
What are the key properties of 5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 81173672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).