4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride

C14H25ClN4O3S — CID 119984931

IUPAC4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCCC(C)C2CN)cn1C.Cl
InChIInChI=1S/C14H24N4O3S.ClH/c1-10-5-4-6-18(13(10)8-15)22(20,21)11-7-12(14(19)16-2)17(3)9-11;/h7,9-10,13H,4-6,8,15H2,1-3H3,(H,16,19);1H
InChIKeyWYTDFLRMPIGRTL-UHFFFAOYSA-N
MW364.90 g/mol
LogP0.55
Rot. Bonds4

About 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride

4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119984931) has the molecular formula C14H25ClN4O3S and a molecular weight of 364.90 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride
PubChem CID119984931
Molecular FormulaC14H25ClN4O3S
Molecular Weight364.90 g/mol
Exact Mass364.13
IUPAC Name4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCCC(C)C2CN)cn1C.Cl
InChIInChI=1S/C14H24N4O3S.ClH/c1-10-5-4-6-18(13(10)8-15)22(20,21)11-7-12(14(19)16-2)17(3)9-11;/h7,9-10,13H,4-6,8,15H2,1-3H3,(H,16,19);1H
InChIKeyWYTDFLRMPIGRTL-UHFFFAOYSA-N
XLogP0.55
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride (CID 119984931) is 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride is CNC(=O)c1cc(S(=O)(=O)N2CCCC(C)C2CN)cn1C.Cl.
What is the InChIKey of 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is WYTDFLRMPIGRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S.ClH/c1-10-5-4-6-18(13(10)8-15)22(20,21)11-7-12(14(19)16-2)17(3)9-11;/h7,9-10,13H,4-6,8,15H2,1-3H3,(H,16,19);1H.
What are the key properties of 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride?
4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119984931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).