(3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide

C18H26N2O4S — CID 95118366

IUPAC(3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C18H26N2O4S/c1-24-15-8-9-16-13(11-15)5-3-7-17(16)19-18(21)14-6-4-10-20(12-14)25(2,22)23/h8-9,11,14,17H,3-7,10,12H2,1-2H3,(H,19,21)/t14-,17+/m1/s1
InChIKeyLBOCXMDGXOSCLL-PBHICJAKSA-N
MW366.48 g/mol
LogP1.86
Rot. Bonds4

About (3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide

(3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 95118366) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is (3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID95118366
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name(3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C18H26N2O4S/c1-24-15-8-9-16-13(11-15)5-3-7-17(16)19-18(21)14-6-4-10-20(12-14)25(2,22)23/h8-9,11,14,17H,3-7,10,12H2,1-2H3,(H,19,21)/t14-,17+/m1/s1
InChIKeyLBOCXMDGXOSCLL-PBHICJAKSA-N
XLogP1.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 125072549
1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 133189561
(3R)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-3-carboxamide
CID 99970575
1-(4-methoxyphenyl)sulfonyl-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 100657012
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-4-carboxamide
CID 95706262
(3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94646783
1-(4-fluorophenyl)sulfonyl-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 100653363
9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985425
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 78319340
1-(3-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 29028111

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide (CID 95118366) is (3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide is COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of (3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is LBOCXMDGXOSCLL-PBHICJAKSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-24-15-8-9-16-13(11-15)5-3-7-17(16)19-18(21)14-6-4-10-20(12-14)25(2,22)23/h8-9,11,14,17H,3-7,10,12H2,1-2H3,(H,19,21)/t14-,17+/m1/s1.
What are the key properties of (3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide?
(3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 95118366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).