4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride

C15H24ClN3O3S — CID 120707986

IUPAC4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1ccc(S(=O)(=O)N2CCCCC2CN)cc1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-17(2)15(19)12-6-8-14(9-7-12)22(20,21)18-10-4-3-5-13(18)11-16;/h6-9,13H,3-5,10-11,16H2,1-2H3;1H
InChIKeyNORROWVUFZBZDH-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.31
Rot. Bonds4

About 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride

4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride (PubChem CID 120707986) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride
PubChem CID120707986
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1ccc(S(=O)(=O)N2CCCCC2CN)cc1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-17(2)15(19)12-6-8-14(9-7-12)22(20,21)18-10-4-3-5-13(18)11-16;/h6-9,13H,3-5,10-11,16H2,1-2H3;1H
InChIKeyNORROWVUFZBZDH-UHFFFAOYSA-N
XLogP1.31
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 120874759
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 115312365
ethyl 4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 115312454
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119969443
[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453
dimethyl 5-[2-(aminomethyl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate
CID 119969379
N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 119969352
N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride
CID 120708030
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride (CID 120707986) is 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride is CN(C)C(=O)c1ccc(S(=O)(=O)N2CCCCC2CN)cc1.Cl.
What is the InChIKey of 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is NORROWVUFZBZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-17(2)15(19)12-6-8-14(9-7-12)22(20,21)18-10-4-3-5-13(18)11-16;/h6-9,13H,3-5,10-11,16H2,1-2H3;1H.
What are the key properties of 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride?
4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120707986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).