N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride

C15H24ClN3O3S — CID 119722466

IUPACN-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1CCCN(C(=O)Cc2ccc(N)cc2)C1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-22(20,21)17-10-13-3-2-8-18(11-13)15(19)9-12-4-6-14(16)7-5-12;/h4-7,13,17H,2-3,8-11,16H2,1H3;1H
InChIKeyXWGIYEMMYJDHBJ-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.02
Rot. Bonds5

About N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride

N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride (PubChem CID 119722466) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
PubChem CID119722466
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1CCCN(C(=O)Cc2ccc(N)cc2)C1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-22(20,21)17-10-13-3-2-8-18(11-13)15(19)9-12-4-6-14(16)7-5-12;/h4-7,13,17H,2-3,8-11,16H2,1H3;1H
InChIKeyXWGIYEMMYJDHBJ-UHFFFAOYSA-N
XLogP1.02
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 119040530
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
N-[[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47044266
N-[1-[2-(4-aminophenyl)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793520
N-[[1-[2-(azetidin-3-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 64609955
N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 94029580
4-methyl-N-[[1-[2-(4-nitrophenyl)acetyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 60618195
2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241822
2-(4-aminophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64568201
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine
CID 72912279
N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55663280

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride (CID 119722466) is N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride is CS(=O)(=O)NCC1CCCN(C(=O)Cc2ccc(N)cc2)C1.Cl.
What is the InChIKey of N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The InChIKey is XWGIYEMMYJDHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-22(20,21)17-10-13-3-2-8-18(11-13)15(19)9-12-4-6-14(16)7-5-12;/h4-7,13,17H,2-3,8-11,16H2,1H3;1H.
What are the key properties of N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119722466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).