1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide

C18H23NO3S — CID 146149447

IUPAC1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide
SMILESCC1(CS(=O)(=O)NCc2cccc3ccccc23)CCOCC1
InChIInChI=1S/C18H23NO3S/c1-18(9-11-22-12-10-18)14-23(20,21)19-13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,19H,9-14H2,1H3
InChIKeyUWXBYCYZOIMXDR-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.08
Rot. Bonds5

About 1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide

1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide (PubChem CID 146149447) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide
PubChem CID146149447
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide
SMILESCC1(CS(=O)(=O)NCc2cccc3ccccc23)CCOCC1
InChIInChI=1S/C18H23NO3S/c1-18(9-11-22-12-10-18)14-23(20,21)19-13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,19H,9-14H2,1H3
InChIKeyUWXBYCYZOIMXDR-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide
CID 11291762
N-[(1-methylcyclopentyl)methyl]-1-naphthalen-1-ylmethanamine
CID 63822202
3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide
CID 106062043
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
1-methyl-N-(naphthalen-1-ylmethyl)cyclopentan-1-amine
CID 61363824
methyl 4-(naphthalen-1-ylmethylsulfamoylmethyl)benzoate
CID 95045239
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742697
1-(naphthalen-1-ylmethyl)-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 72717033
23-(naphthalen-1-ylmethyl)-17,20-dioxa-4,14,23,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione
CID 58021830
N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103743564
4-(naphthalen-1-ylmethyl)oxepan-4-ol
CID 65151405
1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 116521405

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide (CID 146149447) is 1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide is CC1(CS(=O)(=O)NCc2cccc3ccccc23)CCOCC1.
What is the InChIKey of 1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide?
The InChIKey is UWXBYCYZOIMXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-18(9-11-22-12-10-18)14-23(20,21)19-13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,19H,9-14H2,1H3.
What are the key properties of 1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide?
1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide is sourced from PubChem (CID 146149447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).