N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide

C15H19NO2S2 — CID 115684220

IUPACN-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H19NO2S2/c1-3-19-11-12(2)16-20(17,18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12,16H,3,11H2,1-2H3
InChIKeySHXYYXWLGDYRNB-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.26
Rot. Bonds6

About N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide

N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide (PubChem CID 115684220) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide
PubChem CID115684220
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H19NO2S2/c1-3-19-11-12(2)16-20(17,18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12,16H,3,11H2,1-2H3
InChIKeySHXYYXWLGDYRNB-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 115662781
2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 113318745
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
N-(5-methylhexan-2-yl)naphthalene-1-sulfonamide
CID 114795789
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
N-(1-ethylsulfanylpropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide
CID 106083415
N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide
CID 114795686
N-(1-cyanoethyl)naphthalene-1-sulfonamide
CID 115766500
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide
CID 113498913
N-[(2R)-1-morpholin-4-ylpropan-2-yl]naphthalene-1-sulfonamide
CID 97000893

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide (CID 115684220) is N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide is CCSCC(C)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide?
The InChIKey is SHXYYXWLGDYRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-3-19-11-12(2)16-20(17,18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12,16H,3,11H2,1-2H3.
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide?
N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide has a molecular weight of 309.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 115684220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).