(2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol

C13H19NOS — CID 107166604

IUPAC(2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol
SMILESOC[C@H](NCC1CCSC1)c1ccccc1
InChIInChI=1S/C13H19NOS/c15-9-13(12-4-2-1-3-5-12)14-8-11-6-7-16-10-11/h1-5,11,13-15H,6-10H2/t11?,13-/m0/s1
InChIKeyBBNOXIKUIAWVPE-YUZLPWPTSA-N
MW237.37 g/mol
LogP2.06
Rot. Bonds5

About (2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol

(2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol (PubChem CID 107166604) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol
PubChem CID107166604
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol
SMILESOC[C@H](NCC1CCSC1)c1ccccc1
InChIInChI=1S/C13H19NOS/c15-9-13(12-4-2-1-3-5-12)14-8-11-6-7-16-10-11/h1-5,11,13-15H,6-10H2/t11?,13-/m0/s1
InChIKeyBBNOXIKUIAWVPE-YUZLPWPTSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
1-phenyl-1-pyridin-4-yl-N-(thiolan-3-ylmethyl)methanamine
CID 107166017
1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131528
1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295474
1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107166601
1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine
CID 115898442
(2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol
CID 107862197
(2S)-2-phenyl-2-(thiolan-3-ylmethylcarbamoylamino)acetic acid
CID 107297590
(1S)-1-(3-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132275
2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol
CID 61056447
(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132261
N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
CID 107295205

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol?
The IUPAC name of (2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol (CID 107166604) is (2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol?
The canonical SMILES for (2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol is OC[C@H](NCC1CCSC1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol?
The InChIKey is BBNOXIKUIAWVPE-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H19NOS/c15-9-13(12-4-2-1-3-5-12)14-8-11-6-7-16-10-11/h1-5,11,13-15H,6-10H2/t11?,13-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol?
(2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol has a molecular weight of 237.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol is sourced from PubChem (CID 107166604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).