(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol

C9H11NOS — CID 146535071

IUPAC(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
SMILESO[C@@H]1Cc2ccccc2[C@H]1NS
InChIInChI=1S/C9H11NOS/c11-8-5-6-3-1-2-4-7(6)9(8)10-12/h1-4,8-12H,5H2/t8-,9-/m1/s1
InChIKeyFGHYYZBUHFUNAR-RKDXNWHRSA-N
MW181.26 g/mol
LogP1.08
Rot. Bonds1

About (1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol

(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 146535071) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is (1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
PubChem CID146535071
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
SMILESO[C@@H]1Cc2ccccc2[C@H]1NS
InChIInChI=1S/C9H11NOS/c11-8-5-6-3-1-2-4-7(6)9(8)10-12/h1-4,8-12H,5H2/t8-,9-/m1/s1
InChIKeyFGHYYZBUHFUNAR-RKDXNWHRSA-N
XLogP1.08
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylamino)-2,3-dihydro-1H-inden-2-ol
CID 77423862
CID 87918176
CID 87918176
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)methanesulfinamide
CID 131111215
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol
CID 4270592
(1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 162630957
1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 71922626
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol (CID 146535071) is (1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol is O[C@@H]1Cc2ccccc2[C@H]1NS.
What is the InChIKey of (1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is FGHYYZBUHFUNAR-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H11NOS/c11-8-5-6-3-1-2-4-7(6)9(8)10-12/h1-4,8-12H,5H2/t8-,9-/m1/s1.
What are the key properties of (1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol?
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 181.26 g/mol, XLogP of 1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 146535071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).