5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide

C14H26N4O2S — CID 106083043

IUPAC5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCN(C)CC2C)cc1CN
InChIInChI=1S/C14H26N4O2S/c1-4-18-10-13(7-12(18)8-15)21(19,20)16-14-5-6-17(3)9-11(14)2/h7,10-11,14,16H,4-6,8-9,15H2,1-3H3
InChIKeyLLMIJQCFLOIYGO-UHFFFAOYSA-N
MW314.46 g/mol
LogP0.59
Rot. Bonds5

About 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide (PubChem CID 106083043) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide
PubChem CID106083043
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCN(C)CC2C)cc1CN
InChIInChI=1S/C14H26N4O2S/c1-4-18-10-13(7-12(18)8-15)21(19,20)16-14-5-6-17(3)9-11(14)2/h7,10-11,14,16H,4-6,8-9,15H2,1-3H3
InChIKeyLLMIJQCFLOIYGO-UHFFFAOYSA-N
XLogP0.59
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114503347
4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 106919626
5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide
CID 106068913
4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114503351
5-(aminomethyl)-1-ethyl-N-(4-methylsulfanylcyclohexyl)pyrrole-3-sulfonamide
CID 106090752
1-ethyl-4-[(1-methylpyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 61465078
5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide
CID 106094516
5-(aminomethyl)-1-ethyl-N-(3-ethylsulfanylcyclopentyl)pyrrole-3-sulfonamide
CID 106091498
N-(1,3-dimethylpiperidin-4-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 114505908
N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 114504913
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614758

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide (CID 106083043) is 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NC2CCN(C)CC2C)cc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide?
The InChIKey is LLMIJQCFLOIYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-18-10-13(7-12(18)8-15)21(19,20)16-14-5-6-17(3)9-11(14)2/h7,10-11,14,16H,4-6,8-9,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide is sourced from PubChem (CID 106083043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).