(1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine

C19H23NOS — CID 10448310

IUPAC(1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine
SMILESN[C@@H]1C[C@@H](OCc2ccccc2)CC[C@H]1Sc1ccccc1
InChIInChI=1S/C19H23NOS/c20-18-13-16(21-14-15-7-3-1-4-8-15)11-12-19(18)22-17-9-5-2-6-10-17/h1-10,16,18-19H,11-14,20H2/t16-,18+,19+/m0/s1
InChIKeyGZLMIDQXSWBNBS-QXAKKESOSA-N
MW313.47 g/mol
LogP4.24
Rot. Bonds5

About (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine

(1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine (PubChem CID 10448310) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine
PubChem CID10448310
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name(1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine
SMILESN[C@@H]1C[C@@H](OCc2ccccc2)CC[C@H]1Sc1ccccc1
InChIInChI=1S/C19H23NOS/c20-18-13-16(21-14-15-7-3-1-4-8-15)11-12-19(18)22-17-9-5-2-6-10-17/h1-10,16,18-19H,11-14,20H2/t16-,18+,19+/m0/s1
InChIKeyGZLMIDQXSWBNBS-QXAKKESOSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine?
The IUPAC name of (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine (CID 10448310) is (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine.
What is the SMILES notation for (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine?
The canonical SMILES for (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine is N[C@@H]1C[C@@H](OCc2ccccc2)CC[C@H]1Sc1ccccc1.
What is the InChIKey of (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine?
The InChIKey is GZLMIDQXSWBNBS-QXAKKESOSA-N. The full InChI is InChI=1S/C19H23NOS/c20-18-13-16(21-14-15-7-3-1-4-8-15)11-12-19(18)22-17-9-5-2-6-10-17/h1-10,16,18-19H,11-14,20H2/t16-,18+,19+/m0/s1.
What are the key properties of (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine?
(1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine has a molecular weight of 313.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 10448310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).