2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol

C12H23NOS — CID 79856040

IUPAC2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol
SMILESCC1(C)CCC(CN2CCSCC2)C1O
InChIInChI=1S/C12H23NOS/c1-12(2)4-3-10(11(12)14)9-13-5-7-15-8-6-13/h10-11,14H,3-9H2,1-2H3
InChIKeyJBRQHTGRMUZQOJ-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.83
Rot. Bonds2

About 2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol

2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol (PubChem CID 79856040) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol
PubChem CID79856040
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol
SMILESCC1(C)CCC(CN2CCSCC2)C1O
InChIInChI=1S/C12H23NOS/c1-12(2)4-3-10(11(12)14)9-13-5-7-15-8-6-13/h10-11,14H,3-9H2,1-2H3
InChIKeyJBRQHTGRMUZQOJ-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol (CID 79856040) is 2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol is CC1(C)CCC(CN2CCSCC2)C1O.
What is the InChIKey of 2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol?
The InChIKey is JBRQHTGRMUZQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-12(2)4-3-10(11(12)14)9-13-5-7-15-8-6-13/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol?
2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol has a molecular weight of 229.39 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(thiomorpholin-4-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 79856040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).