(2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol

C14H21NOS — CID 124778640

IUPAC(2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol
SMILESCC[C@H](O)CN1CCSC[C@H]1c1ccccc1
InChIInChI=1S/C14H21NOS/c1-2-13(16)10-15-8-9-17-11-14(15)12-6-4-3-5-7-12/h3-7,13-14,16H,2,8-11H2,1H3/t13-,14-/m0/s1
InChIKeyAZAUWAXXWRYFKV-KBPBESRZSA-N
MW251.40 g/mol
LogP2.55
Rot. Bonds4

About (2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol

(2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol (PubChem CID 124778640) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is (2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol
PubChem CID124778640
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name(2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol
SMILESCC[C@H](O)CN1CCSC[C@H]1c1ccccc1
InChIInChI=1S/C14H21NOS/c1-2-13(16)10-15-8-9-17-11-14(15)12-6-4-3-5-7-12/h3-7,13-14,16H,2,8-11H2,1H3/t13-,14-/m0/s1
InChIKeyAZAUWAXXWRYFKV-KBPBESRZSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3-phenylthiomorpholin-4-yl)butan-2-ol
CID 111488133
(2R)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol
CID 124505782
4-(2-methoxyethyl)-3-phenylthiomorpholine
CID 56791335
1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol
CID 111422289
2-[3-(4-methylphenyl)thiomorpholin-4-yl]acetic acid
CID 119135595
3-phenylthiomorpholine-4-sulfinic acid
CID 71087504
1-(2-phenylpiperazin-1-yl)heptan-2-ol
CID 70408469
4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one
CID 120559857
2-amino-1-(3-phenylthiomorpholin-4-yl)ethanone;hydrochloride
CID 119281363
2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione
CID 122154429
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
4-amino-3-methoxy-1-(3-phenylthiomorpholin-4-yl)butan-1-one;hydrochloride
CID 120588087

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol?
The IUPAC name of (2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol (CID 124778640) is (2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol.
What is the SMILES notation for (2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol?
The canonical SMILES for (2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol is CC[C@H](O)CN1CCSC[C@H]1c1ccccc1.
What is the InChIKey of (2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol?
The InChIKey is AZAUWAXXWRYFKV-KBPBESRZSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-13(16)10-15-8-9-17-11-14(15)12-6-4-3-5-7-12/h3-7,13-14,16H,2,8-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of (2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol?
(2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol has a molecular weight of 251.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol is sourced from PubChem (CID 124778640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).