1-(2-phenylthiomorpholin-4-yl)butan-2-ol

C14H21NOS — CID 56792351

IUPAC1-(2-phenylthiomorpholin-4-yl)butan-2-ol
SMILESCCC(O)CN1CCSC(c2ccccc2)C1
InChIInChI=1S/C14H21NOS/c1-2-13(16)10-15-8-9-17-14(11-15)12-6-4-3-5-7-12/h3-7,13-14,16H,2,8-11H2,1H3
InChIKeyHFFRCPGMPGSXHK-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.55
Rot. Bonds4

About 1-(2-phenylthiomorpholin-4-yl)butan-2-ol

1-(2-phenylthiomorpholin-4-yl)butan-2-ol (PubChem CID 56792351) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-(2-phenylthiomorpholin-4-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2-phenylthiomorpholin-4-yl)butan-2-ol
PubChem CID56792351
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name1-(2-phenylthiomorpholin-4-yl)butan-2-ol
SMILESCCC(O)CN1CCSC(c2ccccc2)C1
InChIInChI=1S/C14H21NOS/c1-2-13(16)10-15-8-9-17-14(11-15)12-6-4-3-5-7-12/h3-7,13-14,16H,2,8-11H2,1H3
InChIKeyHFFRCPGMPGSXHK-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylthiomorpholin-4-yl)butan-2-ol?
The IUPAC name of 1-(2-phenylthiomorpholin-4-yl)butan-2-ol (CID 56792351) is 1-(2-phenylthiomorpholin-4-yl)butan-2-ol.
What is the SMILES notation for 1-(2-phenylthiomorpholin-4-yl)butan-2-ol?
The canonical SMILES for 1-(2-phenylthiomorpholin-4-yl)butan-2-ol is CCC(O)CN1CCSC(c2ccccc2)C1.
What is the InChIKey of 1-(2-phenylthiomorpholin-4-yl)butan-2-ol?
The InChIKey is HFFRCPGMPGSXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-13(16)10-15-8-9-17-14(11-15)12-6-4-3-5-7-12/h3-7,13-14,16H,2,8-11H2,1H3.
What are the key properties of 1-(2-phenylthiomorpholin-4-yl)butan-2-ol?
1-(2-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 1-(2-phenylthiomorpholin-4-yl)butan-2-ol is sourced from PubChem (CID 56792351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).