N-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide

C22H28N2O3S — CID 11689874

IUPACN-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)C1CCCCC1
InChIInChI=1S/C22H28N2O3S/c25-22(18-8-2-1-3-9-18)23-20-11-6-14-24(16-20)28(26,27)21-13-12-17-7-4-5-10-19(17)15-21/h4-5,7,10,12-13,15,18,20H,1-3,6,8-9,11,14,16H2,(H,23,25)/t20-/m1/s1
InChIKeyFFYRMFFKZVVVKW-HXUWFJFHSA-N
MW400.54 g/mol
LogP3.69
Rot. Bonds4

About N-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide

N-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide (PubChem CID 11689874) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide
PubChem CID11689874
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)C1CCCCC1
InChIInChI=1S/C22H28N2O3S/c25-22(18-8-2-1-3-9-18)23-20-11-6-14-24(16-20)28(26,27)21-13-12-17-7-4-5-10-19(17)15-21/h4-5,7,10,12-13,15,18,20H,1-3,6,8-9,11,14,16H2,(H,23,25)/t20-/m1/s1
InChIKeyFFYRMFFKZVVVKW-HXUWFJFHSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide (CID 11689874) is N-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide is O=C(N[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)C1CCCCC1.
What is the InChIKey of N-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The InChIKey is FFYRMFFKZVVVKW-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2O3S/c25-22(18-8-2-1-3-9-18)23-20-11-6-14-24(16-20)28(26,27)21-13-12-17-7-4-5-10-19(17)15-21/h4-5,7,10,12-13,15,18,20H,1-3,6,8-9,11,14,16H2,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide?
N-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 11689874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).