1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

C16H18N2O3S — CID 3753704

IUPAC1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C16H18N2O3S/c17-16(19)14-6-3-9-18(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H2,17,19)
InChIKeyKHYDJJVNIIEUMP-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.73
Rot. Bonds3

About 1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 3753704) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID3753704
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C16H18N2O3S/c17-16(19)14-6-3-9-18(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H2,17,19)
InChIKeyKHYDJJVNIIEUMP-UHFFFAOYSA-N
XLogP1.73
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of 1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (CID 3753704) is 1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for 1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is NC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of 1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is KHYDJJVNIIEUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c17-16(19)14-6-3-9-18(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H2,17,19).
What are the key properties of 1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3753704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).