[2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol

C15H16ClNOS — CID 130298446

IUPAC[2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol
SMILESC[C@H](N)c1cccc(Cl)c1Sc1ccccc1CO
InChIInChI=1S/C15H16ClNOS/c1-10(17)12-6-4-7-13(16)15(12)19-14-8-3-2-5-11(14)9-18/h2-8,10,18H,9,17H2,1H3/t10-/m0/s1
InChIKeyAWZSBHHYWJGNPS-JTQLQIEISA-N
MW293.82 g/mol
LogP4.00
Rot. Bonds4

About [2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol

[2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol (PubChem CID 130298446) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is [2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol
PubChem CID130298446
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name[2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol
SMILESC[C@H](N)c1cccc(Cl)c1Sc1ccccc1CO
InChIInChI=1S/C15H16ClNOS/c1-10(17)12-6-4-7-13(16)15(12)19-14-8-3-2-5-11(14)9-18/h2-8,10,18H,9,17H2,1H3/t10-/m0/s1
InChIKeyAWZSBHHYWJGNPS-JTQLQIEISA-N
XLogP4.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol?
The IUPAC name of [2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol (CID 130298446) is [2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol?
The canonical SMILES for [2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol is C[C@H](N)c1cccc(Cl)c1Sc1ccccc1CO.
What is the InChIKey of [2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol?
The InChIKey is AWZSBHHYWJGNPS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-10(17)12-6-4-7-13(16)15(12)19-14-8-3-2-5-11(14)9-18/h2-8,10,18H,9,17H2,1H3/t10-/m0/s1.
What are the key properties of [2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol?
[2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol has a molecular weight of 293.82 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 130298446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).