1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide

C14H21N3O3S — CID 43579055

IUPAC1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C14H21N3O3S/c1-16-14(18)12-5-7-17(8-6-12)21(19,20)13-4-2-3-11(9-13)10-15/h2-4,9,12H,5-8,10,15H2,1H3,(H,16,18)
InChIKeyJBEPYPZBOXQRJW-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.29
Rot. Bonds4

About 1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide

1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 43579055) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID43579055
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C14H21N3O3S/c1-16-14(18)12-5-7-17(8-6-12)21(19,20)13-4-2-3-11(9-13)10-15/h2-4,9,12H,5-8,10,15H2,1H3,(H,16,18)
InChIKeyJBEPYPZBOXQRJW-UHFFFAOYSA-N
XLogP0.29
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol
CID 82012695
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
ethyl 1-[3-(bromomethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 142526639
1-[3-(aminomethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 106668585
N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 110350939
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 33039644
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285254
1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 43577792
(3S)-1-(3-ethylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 124625888
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 110350788

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide (CID 43579055) is 1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(S(=O)(=O)c2cccc(CN)c2)CC1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is JBEPYPZBOXQRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-16-14(18)12-5-7-17(8-6-12)21(19,20)13-4-2-3-11(9-13)10-15/h2-4,9,12H,5-8,10,15H2,1H3,(H,16,18).
What are the key properties of 1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide?
1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 43579055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).