(1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol

C15H15NOS — CID 131842796

IUPAC(1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol
SMILESNc1ccccc1S[C@H]1Cc2ccccc2[C@@H]1O
InChIInChI=1S/C15H15NOS/c16-12-7-3-4-8-13(12)18-14-9-10-5-1-2-6-11(10)15(14)17/h1-8,14-15,17H,9,16H2/t14-,15-/m0/s1
InChIKeyODLMDDCMUJBEAY-GJZGRUSLSA-N
MW257.36 g/mol
LogP3.02
Rot. Bonds2

About (1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol

(1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 131842796) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol
PubChem CID131842796
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol
SMILESNc1ccccc1S[C@H]1Cc2ccccc2[C@@H]1O
InChIInChI=1S/C15H15NOS/c16-12-7-3-4-8-13(12)18-14-9-10-5-1-2-6-11(10)15(14)17/h1-8,14-15,17H,9,16H2/t14-,15-/m0/s1
InChIKeyODLMDDCMUJBEAY-GJZGRUSLSA-N
XLogP3.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64619137
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
2-propan-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64633837
N-methyl-2-(2-nitrophenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64612170
(1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel
CID 177486756
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
(1R,2S)-2-phenyl-2,3-dihydro-1H-inden-1-ol
CID 129386741
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 104564613
2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 64612132

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol (CID 131842796) is (1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol is Nc1ccccc1S[C@H]1Cc2ccccc2[C@@H]1O.
What is the InChIKey of (1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is ODLMDDCMUJBEAY-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H15NOS/c16-12-7-3-4-8-13(12)18-14-9-10-5-1-2-6-11(10)15(14)17/h1-8,14-15,17H,9,16H2/t14-,15-/m0/s1.
What are the key properties of (1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol?
(1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 257.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(2-aminophenyl)sulfanyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 131842796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).