3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide

C15H23N3O3S — CID 119990219

IUPAC3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide
SMILESCCNCC1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C15H23N3O3S/c1-2-17-11-12-6-8-18(9-7-12)22(20,21)14-5-3-4-13(10-14)15(16)19/h3-5,10,12,17H,2,6-9,11H2,1H3,(H2,16,19)
InChIKeyRYWSFDOATSKWFY-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.80
Rot. Bonds6

About 3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide

3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide (PubChem CID 119990219) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide
PubChem CID119990219
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide
SMILESCCNCC1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C15H23N3O3S/c1-2-17-11-12-6-8-18(9-7-12)22(20,21)14-5-3-4-13(10-14)15(16)19/h3-5,10,12,17H,2,6-9,11H2,1H3,(H2,16,19)
InChIKeyRYWSFDOATSKWFY-UHFFFAOYSA-N
XLogP0.80
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119647439
[4-(ethylaminomethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 119647438
[4-(ethylaminomethyl)piperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone;hydrochloride
CID 119646595
3-[(3R)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 119962387
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 75431046
methyl 3-[4-(aminomethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119963710
1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one
CID 61253737
N-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990721
3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide
CID 120715451
3-(4-ethoxypiperidin-1-yl)sulfonylbenzoic acid
CID 61216502
2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 166179095
5-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione
CID 119990661

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of 3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide (CID 119990219) is 3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide is CCNCC1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide?
The InChIKey is RYWSFDOATSKWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-17-11-12-6-8-18(9-7-12)22(20,21)14-5-3-4-13(10-14)15(16)19/h3-5,10,12,17H,2,6-9,11H2,1H3,(H2,16,19).
What are the key properties of 3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide?
3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide has a molecular weight of 325.43 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 119990219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).