N-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide

C15H17N3O3S — CID 157072074

IUPACN-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)CN)nc1)c1ccccc1
InChIInChI=1S/C15H17N3O3S/c1-22(20,21)18(13-5-3-2-4-6-13)11-12-7-8-14(17-10-12)15(19)9-16/h2-8,10H,9,11,16H2,1H3
InChIKeyVRZUNWSRAULKRR-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.19
Rot. Bonds6

About N-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide

N-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide (PubChem CID 157072074) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide
PubChem CID157072074
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)CN)nc1)c1ccccc1
InChIInChI=1S/C15H17N3O3S/c1-22(20,21)18(13-5-3-2-4-6-13)11-12-7-8-14(17-10-12)15(19)9-16/h2-8,10H,9,11,16H2,1H3
InChIKeyVRZUNWSRAULKRR-UHFFFAOYSA-N
XLogP1.19
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-pyridin-3-ylmethanesulfonamide;methyl 4-[[methylsulfonyl(pyridin-3-yl)amino]methyl]benzoate
CID 160538872
N-[[4-(2-aminoacetyl)-3-fluorophenyl]methyl]-N-phenylmethanesulfonamide;2,2-difluoro-N-[2-[2-fluoro-4-[(N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide
CID 161485458
4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 1107721
ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1106193
2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide
CID 23821515
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161
N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide
CID 126507712
2-(N-methylsulfonylanilino)acetate
CID 2063945
4-[(N-methylsulfonylanilino)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28589870
2-amino-1-[4-[(N-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]anilino)methyl]phenyl]ethanone
CID 159567099

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide?
The IUPAC name of N-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide (CID 157072074) is N-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide.
What is the SMILES notation for N-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide?
The canonical SMILES for N-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide is CS(=O)(=O)N(Cc1ccc(C(=O)CN)nc1)c1ccccc1.
What is the InChIKey of N-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide?
The InChIKey is VRZUNWSRAULKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-22(20,21)18(13-5-3-2-4-6-13)11-12-7-8-14(17-10-12)15(19)9-16/h2-8,10H,9,11,16H2,1H3.
What are the key properties of N-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide?
N-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide has a molecular weight of 319.39 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-aminoacetyl)-3-pyridinyl]methyl]-N-phenylmethanesulfonamide is sourced from PubChem (CID 157072074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).