trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol

C10H19NOS — CID 102734775

IUPACtrans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol
SMILESCC1CSCCN1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H19NOS/c1-8-7-13-6-5-11(8)9-3-2-4-10(9)12/h8-10,12H,2-7H2,1H3/t8?,9-,10-/m0/s1
InChIKeyXXFBAMDVFJTYJJ-AGROOBSYSA-N
MW201.33 g/mol
LogP1.34
Rot. Bonds1

About trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol

trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol (PubChem CID 102734775) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol
PubChem CID102734775
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Nametrans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol
SMILESCC1CSCCN1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H19NOS/c1-8-7-13-6-5-11(8)9-3-2-4-10(9)12/h8-10,12H,2-7H2,1H3/t8?,9-,10-/m0/s1
InChIKeyXXFBAMDVFJTYJJ-AGROOBSYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol
CID 122237299
trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol
CID 102734831
2-(2-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 60974161
trans-(1S,2S)-2-(2-methylpiperidin-1-yl)cyclopentan-1-ol
CID 102734292
trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol
CID 102734781
2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
CID 66375579
2-(2,4-dimethylpiperazin-1-yl)cyclohexan-1-ol
CID 103857711
2-(4-methylpiperidin-1-yl)cyclopentan-1-ol
CID 60712204
N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine
CID 81005831
trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
CID 102732334
trans-(1R,2R)-2-(3-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 102734436
trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
CID 130892790

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol (CID 102734775) is trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol is CC1CSCCN1[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol?
The InChIKey is XXFBAMDVFJTYJJ-AGROOBSYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8-7-13-6-5-11(8)9-3-2-4-10(9)12/h8-10,12H,2-7H2,1H3/t8?,9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol?
trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol has a molecular weight of 201.33 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol is sourced from PubChem (CID 102734775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).