(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol

C13H19NOS — CID 102613829

IUPAC(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol
SMILESOC[C@H](Cc1ccccc1)NC1CCSC1
InChIInChI=1S/C13H19NOS/c15-9-13(14-12-6-7-16-10-12)8-11-4-2-1-3-5-11/h1-5,12-15H,6-10H2/t12?,13-/m0/s1
InChIKeyWVNYNRIUALMXSF-ABLWVSNPSA-N
MW237.37 g/mol
LogP1.69
Rot. Bonds5

About (2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol

(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol (PubChem CID 102613829) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol
PubChem CID102613829
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol
SMILESOC[C@H](Cc1ccccc1)NC1CCSC1
InChIInChI=1S/C13H19NOS/c15-9-13(14-12-6-7-16-10-12)8-11-4-2-1-3-5-11/h1-5,12-15H,6-10H2/t12?,13-/m0/s1
InChIKeyWVNYNRIUALMXSF-ABLWVSNPSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol
CID 99830890
2-[(5,5-dimethylthian-3-yl)amino]-3-phenylpropan-1-ol
CID 79958163
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
2-[(4,4-dimethylthian-3-yl)amino]-3-phenylpropan-1-ol
CID 79948114
(2S)-2-[(1-oxothian-4-yl)amino]-3-phenylpropan-1-ol
CID 107862384
(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol
CID 28723252
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
CID 102613855
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104922859
(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104926199
3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758826
(2R)-3-phenyl-2-(piperidin-3-ylamino)propan-1-ol
CID 107860804
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol?
The IUPAC name of (2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol (CID 102613829) is (2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol.
What is the SMILES notation for (2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol?
The canonical SMILES for (2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol is OC[C@H](Cc1ccccc1)NC1CCSC1.
What is the InChIKey of (2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol?
The InChIKey is WVNYNRIUALMXSF-ABLWVSNPSA-N. The full InChI is InChI=1S/C13H19NOS/c15-9-13(14-12-6-7-16-10-12)8-11-4-2-1-3-5-11/h1-5,12-15H,6-10H2/t12?,13-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol?
(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol has a molecular weight of 237.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol is sourced from PubChem (CID 102613829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).