(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine

C16H21NO3S — CID 63368402

IUPAC(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
SMILESCCS(=O)(=O)CCOc1c([C@H](C)N)ccc2ccccc12
InChIInChI=1S/C16H21NO3S/c1-3-21(18,19)11-10-20-16-14(12(2)17)9-8-13-6-4-5-7-15(13)16/h4-9,12H,3,10-11,17H2,1-2H3/t12-/m0/s1
InChIKeyIRFSOCSYRQKWEW-LBPRGKRZSA-N
MW307.42 g/mol
LogP2.67
Rot. Bonds6

About (1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine

(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine (PubChem CID 63368402) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is (1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
PubChem CID63368402
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
SMILESCCS(=O)(=O)CCOc1c([C@H](C)N)ccc2ccccc12
InChIInChI=1S/C16H21NO3S/c1-3-21(18,19)11-10-20-16-14(12(2)17)9-8-13-6-4-5-7-15(13)16/h4-9,12H,3,10-11,17H2,1-2H3/t12-/m0/s1
InChIKeyIRFSOCSYRQKWEW-LBPRGKRZSA-N
XLogP2.67
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
CID 63368514
(1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine
CID 104863269
1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
CID 82927028
1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine
CID 60889205
(1R)-1-(1-but-3-enoxynaphthalen-2-yl)ethanamine
CID 78967478
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 78930722
(1R)-1-[1-(2-thiophen-2-ylethoxy)naphthalen-2-yl]ethanamine
CID 78950759
1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol
CID 63928570
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol
CID 104881475
(1R)-1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethanamine
CID 78937490
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide
CID 63368477
1-[1-(thiophen-2-ylmethoxy)naphthalen-2-yl]ethanamine
CID 60889983

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine?
The IUPAC name of (1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine (CID 63368402) is (1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine is CCS(=O)(=O)CCOc1c([C@H](C)N)ccc2ccccc12.
What is the InChIKey of (1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine?
The InChIKey is IRFSOCSYRQKWEW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-3-21(18,19)11-10-20-16-14(12(2)17)9-8-13-6-4-5-7-15(13)16/h4-9,12H,3,10-11,17H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine?
(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine has a molecular weight of 307.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine is sourced from PubChem (CID 63368402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).