3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide

C14H17NO3S2 — CID 75424555

IUPAC3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCS(=O)Cc1cccc2ccccc12
InChIInChI=1S/C14H17NO3S2/c15-20(17,18)10-4-9-19(16)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8H,4,9-11H2,(H2,15,17,18)
InChIKeyMIZBRPGSRZWNRM-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.77
Rot. Bonds6

About 3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide

3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide (PubChem CID 75424555) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide
PubChem CID75424555
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Name3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCS(=O)Cc1cccc2ccccc12
InChIInChI=1S/C14H17NO3S2/c15-20(17,18)10-4-9-19(16)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8H,4,9-11H2,(H2,15,17,18)
InChIKeyMIZBRPGSRZWNRM-UHFFFAOYSA-N
XLogP1.77
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol
CID 123107319
2-methyl-5-[3-(naphthalen-1-ylmethylsulfinyl)propyl]-1,3,4-oxadiazole
CID 75508400
2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine
CID 167777125
2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene
CID 75414313
2-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 69182114
[2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol
CID 15312401
2-(naphthalen-1-ylamino)ethanesulfonamide
CID 114384703
(2S)-1-naphthalen-1-ylpropane-2-sulfonamide
CID 125482966
2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide
CID 47024696
6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 98235067
4-(naphthalen-1-ylmethylsulfonyl)butan-1-ol
CID 167770478
3-[(2-aminophenyl)methylsulfonylamino]propane-1-sulfonamide
CID 62020736

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide?
The IUPAC name of 3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide (CID 75424555) is 3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide?
The canonical SMILES for 3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide is NS(=O)(=O)CCCS(=O)Cc1cccc2ccccc12.
What is the InChIKey of 3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide?
The InChIKey is MIZBRPGSRZWNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c15-20(17,18)10-4-9-19(16)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8H,4,9-11H2,(H2,15,17,18).
What are the key properties of 3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide?
3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide is sourced from PubChem (CID 75424555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).