1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol

C15H23NO3S2 — CID 66382639

IUPAC1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol
SMILESCc1ccc(C(O)CCN2CCSCC2S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO3S2/c1-12-3-5-13(6-4-12)14(17)7-8-16-9-10-20-11-15(16)21(2,18)19/h3-6,14-15,17H,7-11H2,1-2H3
InChIKeyWSUYFPNKFIUXDM-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.84
Rot. Bonds5

About 1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol

1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol (PubChem CID 66382639) has the molecular formula C15H23NO3S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol
PubChem CID66382639
Molecular FormulaC15H23NO3S2
Molecular Weight329.49 g/mol
Exact Mass329.11
IUPAC Name1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol
SMILESCc1ccc(C(O)CCN2CCSCC2S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO3S2/c1-12-3-5-13(6-4-12)14(17)7-8-16-9-10-20-11-15(16)21(2,18)19/h3-6,14-15,17H,7-11H2,1-2H3
InChIKeyWSUYFPNKFIUXDM-UHFFFAOYSA-N
XLogP1.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)sulfanyl-1-[(3R)-3-methylsulfonylthiomorpholin-4-yl]ethanone
CID 125130608
3-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]aniline
CID 66384766
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-ol
CID 102886658
4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
CID 66383009
1-bromo-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 112561758
4-[(4-iodophenyl)methyl]-3-methylsulfonylthiomorpholine
CID 66383011
4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine
CID 66382459
4-[2-(3-methylsulfonylthiomorpholin-4-yl)ethoxy]aniline
CID 66382167
1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol
CID 66383197
4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine
CID 66382227
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 62619330
1-(3-ethylsulfonylthiomorpholin-4-yl)-4,4-dimethylpentan-3-ol
CID 66375790

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol?
The IUPAC name of 1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol (CID 66382639) is 1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol?
The canonical SMILES for 1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol is Cc1ccc(C(O)CCN2CCSCC2S(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol?
The InChIKey is WSUYFPNKFIUXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S2/c1-12-3-5-13(6-4-12)14(17)7-8-16-9-10-20-11-15(16)21(2,18)19/h3-6,14-15,17H,7-11H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol?
1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol has a molecular weight of 329.49 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(3-methylsulfonylthiomorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 66382639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).