3-methyl-4-(thiomorpholin-4-ylmethyl)phenol

C12H17NOS — CID 102413920

IUPAC3-methyl-4-(thiomorpholin-4-ylmethyl)phenol
SMILESCc1cc(O)ccc1CN1CCSCC1
InChIInChI=1S/C12H17NOS/c1-10-8-12(14)3-2-11(10)9-13-4-6-15-7-5-13/h2-3,8,14H,4-7,9H2,1H3
InChIKeyCPZJSGSWFRWVPL-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.25
Rot. Bonds2

About 3-methyl-4-(thiomorpholin-4-ylmethyl)phenol

3-methyl-4-(thiomorpholin-4-ylmethyl)phenol (PubChem CID 102413920) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-methyl-4-(thiomorpholin-4-ylmethyl)phenol.

Molecular Properties

Compound Name3-methyl-4-(thiomorpholin-4-ylmethyl)phenol
PubChem CID102413920
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-methyl-4-(thiomorpholin-4-ylmethyl)phenol
SMILESCc1cc(O)ccc1CN1CCSCC1
InChIInChI=1S/C12H17NOS/c1-10-8-12(14)3-2-11(10)9-13-4-6-15-7-5-13/h2-3,8,14H,4-7,9H2,1H3
InChIKeyCPZJSGSWFRWVPL-UHFFFAOYSA-N
XLogP2.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725405
[5-fluoro-2-(thiomorpholin-4-ylmethyl)phenyl]boronic acid
CID 54970474
4-[(2,4-dichlorophenyl)methyl]thiomorpholine
CID 1377068
4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine
CID 754053
4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide
CID 122146673
[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
1-(4-hydroxy-2-methylphenyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 122150685
5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 120645731
3-chloro-4-(thiomorpholin-4-ylmethyl)benzonitrile
CID 102665276
[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
CID 62419449
4-(2-bromoethyl)-3-methylphenol
CID 154476317
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(thiomorpholin-4-ylmethyl)phenol?
The IUPAC name of 3-methyl-4-(thiomorpholin-4-ylmethyl)phenol (CID 102413920) is 3-methyl-4-(thiomorpholin-4-ylmethyl)phenol.
What is the SMILES notation for 3-methyl-4-(thiomorpholin-4-ylmethyl)phenol?
The canonical SMILES for 3-methyl-4-(thiomorpholin-4-ylmethyl)phenol is Cc1cc(O)ccc1CN1CCSCC1.
What is the InChIKey of 3-methyl-4-(thiomorpholin-4-ylmethyl)phenol?
The InChIKey is CPZJSGSWFRWVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10-8-12(14)3-2-11(10)9-13-4-6-15-7-5-13/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 3-methyl-4-(thiomorpholin-4-ylmethyl)phenol?
3-methyl-4-(thiomorpholin-4-ylmethyl)phenol has a molecular weight of 223.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(thiomorpholin-4-ylmethyl)phenol is sourced from PubChem (CID 102413920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).