(2S)-1-naphthalen-1-ylpropane-2-sulfonamide

C13H15NO2S — CID 125482966

IUPAC(2S)-1-naphthalen-1-ylpropane-2-sulfonamide
SMILESC[C@@H](Cc1cccc2ccccc12)S(N)(=O)=O
InChIInChI=1S/C13H15NO2S/c1-10(17(14,15)16)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H2,14,15,16)/t10-/m0/s1
InChIKeyZLBGZLXFEKHYIJ-JTQLQIEISA-N
MW249.34 g/mol
LogP2.06
Rot. Bonds3

About (2S)-1-naphthalen-1-ylpropane-2-sulfonamide

(2S)-1-naphthalen-1-ylpropane-2-sulfonamide (PubChem CID 125482966) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is (2S)-1-naphthalen-1-ylpropane-2-sulfonamide.

Molecular Properties

Compound Name(2S)-1-naphthalen-1-ylpropane-2-sulfonamide
PubChem CID125482966
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name(2S)-1-naphthalen-1-ylpropane-2-sulfonamide
SMILESC[C@@H](Cc1cccc2ccccc12)S(N)(=O)=O
InChIInChI=1S/C13H15NO2S/c1-10(17(14,15)16)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H2,14,15,16)/t10-/m0/s1
InChIKeyZLBGZLXFEKHYIJ-JTQLQIEISA-N
XLogP2.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 62603537
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
1-(2-chloropropyl)naphthalene
CID 12809422
3-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 79616440
N-methyl-N-(2-naphthalen-1-ylethyl)propan-2-amine
CID 117044251
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
3-methyl-1-naphthalen-1-ylhexan-2-amine
CID 61078654
amino 2-methyl-3-naphthalen-1-ylpropanoate
CID 174381788
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326

Frequently Asked Questions

What is the IUPAC name of (2S)-1-naphthalen-1-ylpropane-2-sulfonamide?
The IUPAC name of (2S)-1-naphthalen-1-ylpropane-2-sulfonamide (CID 125482966) is (2S)-1-naphthalen-1-ylpropane-2-sulfonamide.
What is the SMILES notation for (2S)-1-naphthalen-1-ylpropane-2-sulfonamide?
The canonical SMILES for (2S)-1-naphthalen-1-ylpropane-2-sulfonamide is C[C@@H](Cc1cccc2ccccc12)S(N)(=O)=O.
What is the InChIKey of (2S)-1-naphthalen-1-ylpropane-2-sulfonamide?
The InChIKey is ZLBGZLXFEKHYIJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15NO2S/c1-10(17(14,15)16)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H2,14,15,16)/t10-/m0/s1.
What are the key properties of (2S)-1-naphthalen-1-ylpropane-2-sulfonamide?
(2S)-1-naphthalen-1-ylpropane-2-sulfonamide has a molecular weight of 249.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-naphthalen-1-ylpropane-2-sulfonamide is sourced from PubChem (CID 125482966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).