1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide

C14H21N3O3S — CID 43107139

IUPAC1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC(N)c1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-10(15)11-2-4-13(5-3-11)21(19,20)17-8-6-12(7-9-17)14(16)18/h2-5,10,12H,6-9,15H2,1H3,(H2,16,18)
InChIKeyQKLIPFDRVZXZNK-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.59
Rot. Bonds4

About 1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide

1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 43107139) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID43107139
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC(N)c1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-10(15)11-2-4-13(5-3-11)21(19,20)17-8-6-12(7-9-17)14(16)18/h2-5,10,12H,6-9,15H2,1H3,(H2,16,18)
InChIKeyQKLIPFDRVZXZNK-UHFFFAOYSA-N
XLogP0.59
TPSA106.49 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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783
1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 43373233
1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 43102421
1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
CID 114679042
1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217736
1-[4-(2-chloroethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43612626
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
CID 63597099
1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide
CID 164885708
N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119495455
(4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 134014788
N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 120507976

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 43107139) is 1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide is CC(N)c1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is QKLIPFDRVZXZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(15)11-2-4-13(5-3-11)21(19,20)17-8-6-12(7-9-17)14(16)18/h2-5,10,12H,6-9,15H2,1H3,(H2,16,18).
What are the key properties of 1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide?
1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43107139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).