4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide

C14H24N4O4S — CID 120718793

IUPAC4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCC(OC)CC2CN)cn1C
InChIInChI=1S/C14H24N4O4S/c1-16-14(19)13-7-12(9-17(13)2)23(20,21)18-5-4-11(22-3)6-10(18)8-15/h7,9-11H,4-6,8,15H2,1-3H3,(H,16,19)
InChIKeyZLZLZWULQMBHNF-UHFFFAOYSA-N
MW344.44 g/mol
LogP-0.49
Rot. Bonds5

About 4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide

4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 120718793) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
PubChem CID120718793
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCC(OC)CC2CN)cn1C
InChIInChI=1S/C14H24N4O4S/c1-16-14(19)13-7-12(9-17(13)2)23(20,21)18-5-4-11(22-3)6-10(18)8-15/h7,9-11H,4-6,8,15H2,1-3H3,(H,16,19)
InChIKeyZLZLZWULQMBHNF-UHFFFAOYSA-N
XLogP-0.49
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide (CID 120718793) is 4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N2CCC(OC)CC2CN)cn1C.
What is the InChIKey of 4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is ZLZLZWULQMBHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-16-14(19)13-7-12(9-17(13)2)23(20,21)18-5-4-11(22-3)6-10(18)8-15/h7,9-11H,4-6,8,15H2,1-3H3,(H,16,19).
What are the key properties of 4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 120718793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).