(2S)-2-amino-3-phenylmethoxypropane-1-thiol

C10H15NOS — CID 87876386

IUPAC(2S)-2-amino-3-phenylmethoxypropane-1-thiol
SMILESN[C@H](CS)COCc1ccccc1
InChIInChI=1S/C10H15NOS/c11-10(8-13)7-12-6-9-4-2-1-3-5-9/h1-5,10,13H,6-8,11H2/t10-/m0/s1
InChIKeyQOTONXGZIWACHG-JTQLQIEISA-N
MW197.30 g/mol
LogP1.46
Rot. Bonds5

About (2S)-2-amino-3-phenylmethoxypropane-1-thiol

(2S)-2-amino-3-phenylmethoxypropane-1-thiol (PubChem CID 87876386) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylmethoxypropane-1-thiol.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylmethoxypropane-1-thiol
PubChem CID87876386
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(2S)-2-amino-3-phenylmethoxypropane-1-thiol
SMILESN[C@H](CS)COCc1ccccc1
InChIInChI=1S/C10H15NOS/c11-10(8-13)7-12-6-9-4-2-1-3-5-9/h1-5,10,13H,6-8,11H2/t10-/m0/s1
InChIKeyQOTONXGZIWACHG-JTQLQIEISA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785
(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786
(2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane
CID 158419681
(4S)-4-amino-5-phenylmethoxypentanamide
CID 90463454
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
benzyl (4S)-4-amino-5-phenylmethoxypentanoate
CID 146536432
2,2-dibromoethoxymethylbenzene
CID 14668834
2-phenylmethoxyethane-1,1-diol
CID 59866645
methyl (3S)-3-amino-4-phenylmethoxybutanoate;hydrochloride
CID 67998622
3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine
CID 130995877
2-amino-3-(4-benzylphenoxy)propane-1-thiol;hydrochloride
CID 18435852

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylmethoxypropane-1-thiol?
The IUPAC name of (2S)-2-amino-3-phenylmethoxypropane-1-thiol (CID 87876386) is (2S)-2-amino-3-phenylmethoxypropane-1-thiol.
What is the SMILES notation for (2S)-2-amino-3-phenylmethoxypropane-1-thiol?
The canonical SMILES for (2S)-2-amino-3-phenylmethoxypropane-1-thiol is N[C@H](CS)COCc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-phenylmethoxypropane-1-thiol?
The InChIKey is QOTONXGZIWACHG-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NOS/c11-10(8-13)7-12-6-9-4-2-1-3-5-9/h1-5,10,13H,6-8,11H2/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenylmethoxypropane-1-thiol?
(2S)-2-amino-3-phenylmethoxypropane-1-thiol has a molecular weight of 197.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylmethoxypropane-1-thiol is sourced from PubChem (CID 87876386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).