3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide

C15H26N4O3S — CID 113138358

IUPAC3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCN(C)CCCN(CCC(=O)NCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C15H26N4O3S/c1-18(2)10-4-11-19(23(3,21)22)12-7-15(20)17-13-14-5-8-16-9-6-14/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,17,20)
InChIKeyKBGBVZXMOQLHEM-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.30
Rot. Bonds10

About 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide

3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113138358) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113138358
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCN(C)CCCN(CCC(=O)NCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C15H26N4O3S/c1-18(2)10-4-11-19(23(3,21)22)12-7-15(20)17-13-14-5-8-16-9-6-14/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,17,20)
InChIKeyKBGBVZXMOQLHEM-UHFFFAOYSA-N
XLogP0.30
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138116
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113138115
N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140036
N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138109
2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113147492
3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113139767
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138355
N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138353
N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150102
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
3-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113139706
3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113141907

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide (CID 113138358) is 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide is CN(C)CCCN(CCC(=O)NCc1ccncc1)S(C)(=O)=O.
What is the InChIKey of 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is KBGBVZXMOQLHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-18(2)10-4-11-19(23(3,21)22)12-7-15(20)17-13-14-5-8-16-9-6-14/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,17,20).
What are the key properties of 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 342.47 g/mol, XLogP of 0.30, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113138358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).