3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol

C13H19NO2S — CID 142999065

IUPAC3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol
SMILESNC1Cc2ccccc2[C@H]1CS(=O)CCCO
InChIInChI=1S/C13H19NO2S/c14-13-8-10-4-1-2-5-11(10)12(13)9-17(16)7-3-6-15/h1-2,4-5,12-13,15H,3,6-9,14H2/t12-,13?,17?/m1/s1
InChIKeyTVZRFZIYROXFJN-SFYCDEOASA-N
MW253.37 g/mol
LogP0.78
Rot. Bonds5

About 3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol

3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol (PubChem CID 142999065) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol.

Molecular Properties

Compound Name3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol
PubChem CID142999065
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol
SMILESNC1Cc2ccccc2[C@H]1CS(=O)CCCO
InChIInChI=1S/C13H19NO2S/c14-13-8-10-4-1-2-5-11(10)12(13)9-17(16)7-3-6-15/h1-2,4-5,12-13,15H,3,6-9,14H2/t12-,13?,17?/m1/s1
InChIKeyTVZRFZIYROXFJN-SFYCDEOASA-N
XLogP0.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol?
The IUPAC name of 3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol (CID 142999065) is 3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol.
What is the SMILES notation for 3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol?
The canonical SMILES for 3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol is NC1Cc2ccccc2[C@H]1CS(=O)CCCO.
What is the InChIKey of 3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol?
The InChIKey is TVZRFZIYROXFJN-SFYCDEOASA-N. The full InChI is InChI=1S/C13H19NO2S/c14-13-8-10-4-1-2-5-11(10)12(13)9-17(16)7-3-6-15/h1-2,4-5,12-13,15H,3,6-9,14H2/t12-,13?,17?/m1/s1.
What are the key properties of 3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol?
3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol has a molecular weight of 253.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol is sourced from PubChem (CID 142999065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).