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

C16H25N3O3S — CID 113067409

IUPACN-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCCCC1)Cc1ccncc1
InChIInChI=1S/C16H25N3O3S/c1-23(21,22)19(13-14-7-9-17-10-8-14)12-11-18-16(20)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,18,20)
InChIKeyMHGKBEPSJPDTSP-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.54
Rot. Bonds7

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

N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide (PubChem CID 113067409) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide
PubChem CID113067409
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCCCC1)Cc1ccncc1
InChIInChI=1S/C16H25N3O3S/c1-23(21,22)19(13-14-7-9-17-10-8-14)12-11-18-16(20)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,18,20)
InChIKeyMHGKBEPSJPDTSP-UHFFFAOYSA-N
XLogP1.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113067406
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066986
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113066450
N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140010
N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
CID 113067193
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113067436
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113065929
3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 113067429
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069805
3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 113067425
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066419
N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 113151736

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide (CID 113067409) is N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide is CS(=O)(=O)N(CCNC(=O)C1CCCCC1)Cc1ccncc1.
What is the InChIKey of N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide?
The InChIKey is MHGKBEPSJPDTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-23(21,22)19(13-14-7-9-17-10-8-14)12-11-18-16(20)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,18,20).
What are the key properties of N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide?
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.54, 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]cyclohexanecarboxamide is sourced from PubChem (CID 113067409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).