1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

C16H20N2O3S — CID 7590284

IUPAC1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1
InChIInChI=1S/C16H20N2O3S/c17-16(19)13-7-9-18(10-8-13)22(20,21)15-6-5-12-3-1-2-4-14(12)11-15/h1-4,11,13H,5-10H2,(H2,17,19)
InChIKeyINCXVSUKZAGURU-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.50
Rot. Bonds3

About 1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 7590284) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
PubChem CID7590284
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1
InChIInChI=1S/C16H20N2O3S/c17-16(19)13-7-9-18(10-8-13)22(20,21)15-6-5-12-3-1-2-4-14(12)11-15/h1-4,11,13H,5-10H2,(H2,17,19)
InChIKeyINCXVSUKZAGURU-UHFFFAOYSA-N
XLogP1.50
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (CID 7590284) is 1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is NC(=O)C1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1.
What is the InChIKey of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is INCXVSUKZAGURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c17-16(19)13-7-9-18(10-8-13)22(20,21)15-6-5-12-3-1-2-4-14(12)11-15/h1-4,11,13H,5-10H2,(H2,17,19).
What are the key properties of 1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 7590284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).