(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol

C18H23NOS — CID 134420055

IUPAC(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](O)C1CCCS1
InChIInChI=1S/C18H23NOS/c1-19-12-16(18(20)17-7-4-10-21-17)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11,16-20H,4,7,10,12H2,1H3/t16-,17?,18+/m1/s1
InChIKeyXTPLKMGSVYQZDV-BLAYRMRBSA-N
MW301.45 g/mol
LogP3.40
Rot. Bonds5

About (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol

(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol (PubChem CID 134420055) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol
PubChem CID134420055
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](O)C1CCCS1
InChIInChI=1S/C18H23NOS/c1-19-12-16(18(20)17-7-4-10-21-17)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11,16-20H,4,7,10,12H2,1H3/t16-,17?,18+/m1/s1
InChIKeyXTPLKMGSVYQZDV-BLAYRMRBSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol?
The IUPAC name of (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol (CID 134420055) is (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol.
What is the SMILES notation for (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol?
The canonical SMILES for (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol is CNC[C@H](c1ccc2ccccc2c1)[C@H](O)C1CCCS1.
What is the InChIKey of (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol?
The InChIKey is XTPLKMGSVYQZDV-BLAYRMRBSA-N. The full InChI is InChI=1S/C18H23NOS/c1-19-12-16(18(20)17-7-4-10-21-17)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11,16-20H,4,7,10,12H2,1H3/t16-,17?,18+/m1/s1.
What are the key properties of (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol?
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol has a molecular weight of 301.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-(thiolan-2-yl)propan-1-ol is sourced from PubChem (CID 134420055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).