N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide

C15H23N3O3S — CID 119969352

IUPACN-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2CN)ccc1C
InChIInChI=1S/C15H23N3O3S/c1-11-6-7-14(9-15(11)17-12(2)19)22(20,21)18-8-4-3-5-13(18)10-16/h6-7,9,13H,3-5,8,10,16H2,1-2H3,(H,17,19)
InChIKeyBLQXSRSPFBFUJP-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.46
Rot. Bonds4

About N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide

N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide (PubChem CID 119969352) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide
PubChem CID119969352
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2CN)ccc1C
InChIInChI=1S/C15H23N3O3S/c1-11-6-7-14(9-15(11)17-12(2)19)22(20,21)18-8-4-3-5-13(18)10-16/h6-7,9,13H,3-5,8,10,16H2,1-2H3,(H,17,19)
InChIKeyBLQXSRSPFBFUJP-UHFFFAOYSA-N
XLogP1.46
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride
CID 120708030
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119969443
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 124681524
1-[6-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119969556
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
dimethyl 5-[2-(aminomethyl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate
CID 119969379
N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 119962620
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969291
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63249776

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide (CID 119969352) is N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2CN)ccc1C.
What is the InChIKey of N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide?
The InChIKey is BLQXSRSPFBFUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11-6-7-14(9-15(11)17-12(2)19)22(20,21)18-8-4-3-5-13(18)10-16/h6-7,9,13H,3-5,8,10,16H2,1-2H3,(H,17,19).
What are the key properties of N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide?
N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide is sourced from PubChem (CID 119969352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).