4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide

C14H21N3O3S — CID 63597099

IUPAC4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
SMILESCC(N)C1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C14H21N3O3S/c1-10(15)11-6-8-17(9-7-11)21(19,20)13-4-2-12(3-5-13)14(16)18/h2-5,10-11H,6-9,15H2,1H3,(H2,16,18)
InChIKeyKDOTWQMDCSVORH-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.53
Rot. Bonds4

About 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide

4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide (PubChem CID 63597099) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
PubChem CID63597099
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
SMILESCC(N)C1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C14H21N3O3S/c1-10(15)11-6-8-17(9-7-11)21(19,20)13-4-2-12(3-5-13)14(16)18/h2-5,10-11H,6-9,15H2,1H3,(H2,16,18)
InChIKeyKDOTWQMDCSVORH-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate
CID 119974740
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119984385
ethyl 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119974949
N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119974725
1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974952
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119975015
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
1-[1-[4-(methylsulfonylmethyl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975061
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119974812
2-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetonitrile
CID 79203402
4-piperazin-1-ylsulfonylbenzamide
CID 7131265

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide (CID 63597099) is 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide is CC(N)C1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide?
The InChIKey is KDOTWQMDCSVORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(15)11-6-8-17(9-7-11)21(19,20)13-4-2-12(3-5-13)14(16)18/h2-5,10-11H,6-9,15H2,1H3,(H2,16,18).
What are the key properties of 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide?
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide has a molecular weight of 311.41 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 63597099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).