3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide

C14H24N4O3S — CID 113138116

IUPAC3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCN(C)CCN(CCC(=O)NCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C14H24N4O3S/c1-17(2)10-11-18(22(3,20)21)9-6-14(19)16-12-13-4-7-15-8-5-13/h4-5,7-8H,6,9-12H2,1-3H3,(H,16,19)
InChIKeySMKMTOSFHPFLTL-UHFFFAOYSA-N
MW328.44 g/mol
LogP-0.09
Rot. Bonds9

About 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide

3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113138116) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113138116
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCN(C)CCN(CCC(=O)NCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C14H24N4O3S/c1-17(2)10-11-18(22(3,20)21)9-6-14(19)16-12-13-4-7-15-8-5-13/h4-5,7-8H,6,9-12H2,1-3H3,(H,16,19)
InChIKeySMKMTOSFHPFLTL-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

3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138358
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113138115
N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138109
N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140036
2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113147492
3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113139767
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
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113147134
N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140035
2-[methylsulfonyl(2-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 963773

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide (CID 113138116) is 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide is CN(C)CCN(CCC(=O)NCc1ccncc1)S(C)(=O)=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is SMKMTOSFHPFLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-17(2)10-11-18(22(3,20)21)9-6-14(19)16-12-13-4-7-15-8-5-13/h4-5,7-8H,6,9-12H2,1-3H3,(H,16,19).
What are the key properties of 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide 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 3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113138116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).