N-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide

C17H24N2O3S — CID 51099316

IUPACN-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)c1ccccc1N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C17H24N2O3S/c1-2-23(21,22)16-6-4-3-5-15(16)19-11-9-14(10-12-19)18-17(20)13-7-8-13/h3-6,13-14H,2,7-12H2,1H3,(H,18,20)
InChIKeyMNVVYLXKVLRSOU-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.98
Rot. Bonds5

About N-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide

N-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 51099316) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID51099316
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)c1ccccc1N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C17H24N2O3S/c1-2-23(21,22)16-6-4-3-5-15(16)19-11-9-14(10-12-19)18-17(20)13-7-8-13/h3-6,13-14H,2,7-12H2,1H3,(H,18,20)
InChIKeyMNVVYLXKVLRSOU-UHFFFAOYSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide (CID 51099316) is N-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide is CCS(=O)(=O)c1ccccc1N1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of N-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is MNVVYLXKVLRSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-2-23(21,22)16-6-4-3-5-15(16)19-11-9-14(10-12-19)18-17(20)13-7-8-13/h3-6,13-14H,2,7-12H2,1H3,(H,18,20).
What are the key properties of N-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide?
N-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 51099316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).