(2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol

C16H23NOS — CID 103595728

IUPAC(2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol
SMILESCN1CCSCC1C(O)c1ccccc1C1CCC1
InChIInChI=1S/C16H23NOS/c1-17-9-10-19-11-15(17)16(18)14-8-3-2-7-13(14)12-5-4-6-12/h2-3,7-8,12,15-16,18H,4-6,9-11H2,1H3
InChIKeyROMCNEKTXOBJDE-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.03
Rot. Bonds3

About (2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol

(2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol (PubChem CID 103595728) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol
PubChem CID103595728
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name(2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol
SMILESCN1CCSCC1C(O)c1ccccc1C1CCC1
InChIInChI=1S/C16H23NOS/c1-17-9-10-19-11-15(17)16(18)14-8-3-2-7-13(14)12-5-4-6-12/h2-3,7-8,12,15-16,18H,4-6,9-11H2,1H3
InChIKeyROMCNEKTXOBJDE-UHFFFAOYSA-N
XLogP3.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine
CID 106444807
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol
CID 114602257
(4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595654
(3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595528
(2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595651
(3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595782
(4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine
CID 106444468
[(4-methylthiomorpholin-3-yl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 106446271
2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595606
(2-ethylpyrazol-3-yl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595649
1-(2-cyclobutylphenyl)butane-1,2-diol
CID 103454593
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444824

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol?
The IUPAC name of (2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol (CID 103595728) is (2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol.
What is the SMILES notation for (2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol?
The canonical SMILES for (2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol is CN1CCSCC1C(O)c1ccccc1C1CCC1.
What is the InChIKey of (2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol?
The InChIKey is ROMCNEKTXOBJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-17-9-10-19-11-15(17)16(18)14-8-3-2-7-13(14)12-5-4-6-12/h2-3,7-8,12,15-16,18H,4-6,9-11H2,1H3.
What are the key properties of (2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol?
(2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol has a molecular weight of 277.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol is sourced from PubChem (CID 103595728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).