N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide

C13H19N3O3S — CID 113067406

IUPACN-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CC1)Cc1ccncc1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)16(10-11-4-6-14-7-5-11)9-8-15-13(17)12-2-3-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,17)
InChIKeyCUPPMZASOACDLI-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.37
Rot. Bonds7

About N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 113067406) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID113067406
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CC1)Cc1ccncc1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)16(10-11-4-6-14-7-5-11)9-8-15-13(17)12-2-3-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,17)
InChIKeyCUPPMZASOACDLI-UHFFFAOYSA-N
XLogP0.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide
CID 113067409
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066986
N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
CID 113067193
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113067436
3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 113067429
N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140010
3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 113067425
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113066450
N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140036
N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140035
N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 113067686
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113065929

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide (CID 113067406) is N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide is CS(=O)(=O)N(CCNC(=O)C1CC1)Cc1ccncc1.
What is the InChIKey of N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is CUPPMZASOACDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-20(18,19)16(10-11-4-6-14-7-5-11)9-8-15-13(17)12-2-3-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,17).
What are the key properties of N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113067406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).