2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

C14H24N4O3S — CID 113150116

IUPAC2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(C)CCCN(CC(=O)NCc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C14H24N4O3S/c1-17(2)9-6-10-18(22(3,20)21)12-14(19)16-11-13-7-4-5-8-15-13/h4-5,7-8H,6,9-12H2,1-3H3,(H,16,19)
InChIKeyAWIDDUKJARXBRH-UHFFFAOYSA-N
MW328.44 g/mol
LogP-0.09
Rot. Bonds9

About 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 113150116) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID113150116
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(C)CCCN(CC(=O)NCc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C14H24N4O3S/c1-17(2)9-6-10-18(22(3,20)21)12-14(19)16-11-13-7-4-5-8-15-13/h4-5,7-8H,6,9-12H2,1-3H3,(H,16,19)
InChIKeyAWIDDUKJARXBRH-UHFFFAOYSA-N
XLogP-0.09
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150102
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150524
N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151439
2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113153062
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide
CID 113151480
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 30265485
2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 23800742
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113139903
2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide
CID 50944930
2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1118194
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 45375642

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 113150116) is 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is CN(C)CCCN(CC(=O)NCc1ccccn1)S(C)(=O)=O.
What is the InChIKey of 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is AWIDDUKJARXBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-17(2)9-6-10-18(22(3,20)21)12-14(19)16-11-13-7-4-5-8-15-13/h4-5,7-8H,6,9-12H2,1-3H3,(H,16,19).
What are the key properties of 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 328.44 g/mol, XLogP of -0.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 113150116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).