N-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

C12H21N3O4S — CID 106080448

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2(OC)CCOC2)c[nH]1
InChIInChI=1S/C12H21N3O4S/c1-13-6-10-5-11(7-14-10)20(16,17)15-8-12(18-2)3-4-19-9-12/h5,7,13-15H,3-4,6,8-9H2,1-2H3
InChIKeyIMJXDHCTFZMLPP-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.18
Rot. Bonds7

About N-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

N-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106080448) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106080448
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2(OC)CCOC2)c[nH]1
InChIInChI=1S/C12H21N3O4S/c1-13-6-10-5-11(7-14-10)20(16,17)15-8-12(18-2)3-4-19-9-12/h5,7,13-15H,3-4,6,8-9H2,1-2H3
InChIKeyIMJXDHCTFZMLPP-UHFFFAOYSA-N
XLogP-0.18
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106080492
5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 114142660
3-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 116792216
3-cyano-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104706009
6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104758582
3-[(3-methoxyoxolan-3-yl)methylsulfamoyl]benzoic acid
CID 104759225
6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104762812
5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 113443450
6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104765482
N-(cyclobutylmethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106024324
5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 104706001
2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104705980

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106080448) is N-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)NCC2(OC)CCOC2)c[nH]1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is IMJXDHCTFZMLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-13-6-10-5-11(7-14-10)20(16,17)15-8-12(18-2)3-4-19-9-12/h5,7,13-15H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 303.38 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106080448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).