N,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

C18H22N2O3S — CID 8795434

IUPACN,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H22N2O3S/c1-19(2)18(21)15-9-11-20(12-10-15)24(22,23)17-8-7-14-5-3-4-6-16(14)13-17/h3-8,13,15H,9-12H2,1-2H3
InChIKeyYDFUWMAIXBVBNI-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.33
Rot. Bonds3

About N,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

N,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 8795434) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID8795434
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H22N2O3S/c1-19(2)18(21)15-9-11-20(12-10-15)24(22,23)17-8-7-14-5-3-4-6-16(14)13-17/h3-8,13,15H,9-12H2,1-2H3
InChIKeyYDFUWMAIXBVBNI-UHFFFAOYSA-N
XLogP2.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 8795434) is N,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is YDFUWMAIXBVBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-19(2)18(21)15-9-11-20(12-10-15)24(22,23)17-8-7-14-5-3-4-6-16(14)13-17/h3-8,13,15H,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 8795434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).