(3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol

C18H19NOS — CID 99852915

IUPAC(3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol
SMILESO[C@@]1(CNC2c3ccccc3-c3ccccc32)CCSC1
InChIInChI=1S/C18H19NOS/c20-18(9-10-21-12-18)11-19-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17,19-20H,9-12H2/t18-/m1/s1
InChIKeyAGBBXWDTECYODT-GOSISDBHSA-N
MW297.42 g/mol
LogP3.21
Rot. Bonds3

About (3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol

(3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol (PubChem CID 99852915) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is (3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol.

Molecular Properties

Compound Name(3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol
PubChem CID99852915
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name(3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol
SMILESO[C@@]1(CNC2c3ccccc3-c3ccccc32)CCSC1
InChIInChI=1S/C18H19NOS/c20-18(9-10-21-12-18)11-19-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17,19-20H,9-12H2/t18-/m1/s1
InChIKeyAGBBXWDTECYODT-GOSISDBHSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol?
The IUPAC name of (3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol (CID 99852915) is (3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol.
What is the SMILES notation for (3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol?
The canonical SMILES for (3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol is O[C@@]1(CNC2c3ccccc3-c3ccccc32)CCSC1.
What is the InChIKey of (3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol?
The InChIKey is AGBBXWDTECYODT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19NOS/c20-18(9-10-21-12-18)11-19-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17,19-20H,9-12H2/t18-/m1/s1.
What are the key properties of (3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol?
(3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol has a molecular weight of 297.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(9H-fluoren-9-ylamino)methyl]thiolan-3-ol is sourced from PubChem (CID 99852915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).