(1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol

C17H20ClNOS — CID 171265664

IUPAC(1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol
SMILESCCC[C@H](O)[C@H](N)c1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNOS/c1-2-5-15(20)17(19)14-6-3-4-7-16(14)21-13-10-8-12(18)9-11-13/h3-4,6-11,15,17,20H,2,5,19H2,1H3/t15-,17+/m0/s1
InChIKeyKDUVPSLIELANNK-DOTOQJQBSA-N
MW321.87 g/mol
LogP4.65
Rot. Bonds6

About (1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol

(1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol (PubChem CID 171265664) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol
PubChem CID171265664
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name(1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol
SMILESCCC[C@H](O)[C@H](N)c1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNOS/c1-2-5-15(20)17(19)14-6-3-4-7-16(14)21-13-10-8-12(18)9-11-13/h3-4,6-11,15,17,20H,2,5,19H2,1H3/t15-,17+/m0/s1
InChIKeyKDUVPSLIELANNK-DOTOQJQBSA-N
XLogP4.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-methylpentan-2-ol;hydrochloride
CID 171271337
(1S,2R)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-methylbutan-2-ol
CID 171271330
(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride
CID 171234701
(3S)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171244664
(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride
CID 171267367
(2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171265661
(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]ethane-1,2-diamine;hydrochloride
CID 171215065
1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine
CID 115995754
(1S,2R)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171161723
(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171160289
1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]butyl]piperazine;dihydrochloride
CID 171283416
1-[(1R)-1-[2-(4-chlorophenyl)sulfanylphenyl]butyl]piperazine;dihydrochloride
CID 171296036

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol (CID 171265664) is (1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol is CCC[C@H](O)[C@H](N)c1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of (1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol?
The InChIKey is KDUVPSLIELANNK-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-2-5-15(20)17(19)14-6-3-4-7-16(14)21-13-10-8-12(18)9-11-13/h3-4,6-11,15,17,20H,2,5,19H2,1H3/t15-,17+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol?
(1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol has a molecular weight of 321.87 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol is sourced from PubChem (CID 171265664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).