1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide

C13H24N4O3S — CID 106075901

IUPAC1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NN2CCOCC2)cn1CC
InChIInChI=1S/C13H24N4O3S/c1-3-14-10-12-9-13(11-16(12)4-2)21(18,19)15-17-5-7-20-8-6-17/h9,11,14-15H,3-8,10H2,1-2H3
InChIKeyKMQKSMAWPYZRQR-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.14
Rot. Bonds7

About 1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide

1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide (PubChem CID 106075901) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide
PubChem CID106075901
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NN2CCOCC2)cn1CC
InChIInChI=1S/C13H24N4O3S/c1-3-14-10-12-9-13(11-16(12)4-2)21(18,19)15-17-5-7-20-8-6-17/h9,11,14-15H,3-8,10H2,1-2H3
InChIKeyKMQKSMAWPYZRQR-UHFFFAOYSA-N
XLogP0.14
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-5-(methylaminomethyl)-N-piperidin-1-ylpyrrole-3-sulfonamide
CID 106075400
1-ethyl-5-(ethylaminomethyl)-N',N'-dimethylpyrrole-3-sulfonohydrazide
CID 106075020
4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 106075759
N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
CID 106065897
N-(2,2-dimethylbutyl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
CID 103466111
1-ethyl-5-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
CID 106055982
1-ethyl-5-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)pyrrole-3-sulfonamide
CID 106077651
1-ethyl-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)pyrrole-3-sulfonamide
CID 106067660
2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid
CID 83004105
1-ethyl-N-(2-methylbutan-2-yl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106031460
4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83026009
5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072562

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide (CID 106075901) is 1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NN2CCOCC2)cn1CC.
What is the InChIKey of 1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide?
The InChIKey is KMQKSMAWPYZRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-3-14-10-12-9-13(11-16(12)4-2)21(18,19)15-17-5-7-20-8-6-17/h9,11,14-15H,3-8,10H2,1-2H3.
What are the key properties of 1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide?
1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 106075901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).