N-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide

C14H15NO3S — CID 129383103

IUPACN-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide
SMILESO=C(C[S@@](=O)c1ccc2ccccc2c1)NCCO
InChIInChI=1S/C14H15NO3S/c16-8-7-15-14(17)10-19(18)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,16H,7-8,10H2,(H,15,17)/t19-/m1/s1
InChIKeyYJHHJCGAHKSABN-LJQANCHMSA-N
MW277.35 g/mol
LogP1.06
Rot. Bonds5

About N-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide

N-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide (PubChem CID 129383103) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide
PubChem CID129383103
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide
SMILESO=C(C[S@@](=O)c1ccc2ccccc2c1)NCCO
InChIInChI=1S/C14H15NO3S/c16-8-7-15-14(17)10-19(18)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,16H,7-8,10H2,(H,15,17)/t19-/m1/s1
InChIKeyYJHHJCGAHKSABN-LJQANCHMSA-N
XLogP1.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol
CID 64898224
4-naphthalen-2-ylsulfinylbutanoic acid
CID 61302772
2-fluoro-5-[2-oxo-2-(propylamino)ethyl]sulfinylbenzoic acid
CID 113371906
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide
CID 103767492
ethyl 3-naphthalen-2-ylsulfinylpropanoate
CID 61302771
N-(2-naphthalen-2-yloxyethyl)-2-thiophen-2-ylsulfanylacetamide
CID 43066911
N-(2-hydroxyethyl)-2-[4-(1-naphthalen-2-ylethylamino)pyrazol-1-yl]acetamide
CID 110017473
molecular hydrogen;naphthalene-2-sulfinic acid;hydrate
CID 145100322
3-hydroxy-N-(naphthalen-2-ylmethyl)propanamide
CID 115139108
N-(2-bromoethyl)-2-naphthalen-2-ylacetamide
CID 43133408
N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide
CID 87319954

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide (CID 129383103) is N-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide is O=C(C[S@@](=O)c1ccc2ccccc2c1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide?
The InChIKey is YJHHJCGAHKSABN-LJQANCHMSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-8-7-15-14(17)10-19(18)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,16H,7-8,10H2,(H,15,17)/t19-/m1/s1.
What are the key properties of N-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide?
N-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[(R)-naphthalen-2-ylsulfinyl]acetamide is sourced from PubChem (CID 129383103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).