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

C22H28N2O3S — CID 68990474

IUPACN-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@]1(S(=O)(=O)c2cccc3ccccc23)CCCNC1)C1CCCCC1
InChIInChI=1S/C22H28N2O3S/c25-21(18-9-2-1-3-10-18)24-22(14-7-15-23-16-22)28(26,27)20-13-6-11-17-8-4-5-12-19(17)20/h4-6,8,11-13,18,23H,1-3,7,9-10,14-16H2,(H,24,25)/t22-/m0/s1
InChIKeyRJIZNDKHSWBBJM-QFIPXVFZSA-N
MW400.54 g/mol
LogP3.39
Rot. Bonds4

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

N-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide (PubChem CID 68990474) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide
PubChem CID68990474
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@]1(S(=O)(=O)c2cccc3ccccc23)CCCNC1)C1CCCCC1
InChIInChI=1S/C22H28N2O3S/c25-21(18-9-2-1-3-10-18)24-22(14-7-15-23-16-22)28(26,27)20-13-6-11-17-8-4-5-12-19(17)20/h4-6,8,11-13,18,23H,1-3,7,9-10,14-16H2,(H,24,25)/t22-/m0/s1
InChIKeyRJIZNDKHSWBBJM-QFIPXVFZSA-N
XLogP3.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide (CID 68990474) is N-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide is O=C(N[C@]1(S(=O)(=O)c2cccc3ccccc23)CCCNC1)C1CCCCC1.
What is the InChIKey of N-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The InChIKey is RJIZNDKHSWBBJM-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H28N2O3S/c25-21(18-9-2-1-3-10-18)24-22(14-7-15-23-16-22)28(26,27)20-13-6-11-17-8-4-5-12-19(17)20/h4-6,8,11-13,18,23H,1-3,7,9-10,14-16H2,(H,24,25)/t22-/m0/s1.
What are the key properties of N-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide?
N-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 68990474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).