N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide

C17H25N3O2S — CID 119468177

IUPACN-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)N2CCCCC2CN)cc1
InChIInChI=1S/C17H25N3O2S/c1-12(17(22)20-10-4-3-5-15(20)11-18)23-16-8-6-14(7-9-16)19-13(2)21/h6-9,12,15H,3-5,10-11,18H2,1-2H3,(H,19,21)
InChIKeyOXTUPBAWUMVQKC-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.47
Rot. Bonds5

About N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide

N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide (PubChem CID 119468177) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
PubChem CID119468177
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)N2CCCCC2CN)cc1
InChIInChI=1S/C17H25N3O2S/c1-12(17(22)20-10-4-3-5-15(20)11-18)23-16-8-6-14(7-9-16)19-13(2)21/h6-9,12,15H,3-5,10-11,18H2,1-2H3,(H,19,21)
InChIKeyOXTUPBAWUMVQKC-UHFFFAOYSA-N
XLogP2.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-bromophenyl)sulfanylpropan-1-one
CID 119634507
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 119631438
N-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 27387195
N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride
CID 119468711
N-[4-[1-(3-aminopiperidin-1-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 119379764
1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 119466300
N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 119595041
N-[4-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 119562177
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
N-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 42974876
N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
CID 119468615
1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55872324

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide (CID 119468177) is N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SC(C)C(=O)N2CCCCC2CN)cc1.
What is the InChIKey of N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide?
The InChIKey is OXTUPBAWUMVQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12(17(22)20-10-4-3-5-15(20)11-18)23-16-8-6-14(7-9-16)19-13(2)21/h6-9,12,15H,3-5,10-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide?
N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide has a molecular weight of 335.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 119468177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).