trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol

C10H19NO2S — CID 122237299

IUPACtrans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol
SMILESOCC1CSCCN1[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H19NO2S/c12-6-8-7-14-5-4-11(8)9-2-1-3-10(9)13/h8-10,12-13H,1-7H2/t8?,9-,10-/m1/s1
InChIKeySCIHTKMHODJQAX-VXRWAFEHSA-N
MW217.33 g/mol
LogP0.31
Rot. Bonds2

About trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol

trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol (PubChem CID 122237299) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol
PubChem CID122237299
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Nametrans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol
SMILESOCC1CSCCN1[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H19NO2S/c12-6-8-7-14-5-4-11(8)9-2-1-3-10(9)13/h8-10,12-13H,1-7H2/t8?,9-,10-/m1/s1
InChIKeySCIHTKMHODJQAX-VXRWAFEHSA-N
XLogP0.31
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol
CID 102734775
trans-(1S,2S)-2-[2-(hydroxymethyl)piperidin-1-yl]cyclopentan-1-ol
CID 102734441
trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol
CID 102734831
2-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
CID 66375579
1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 164661796
trans-(1R,2R)-2-(2-propylpiperidin-1-yl)cyclopentan-1-ol
CID 102734913
2-[3-(hydroxymethyl)thiomorpholin-4-yl]acetic acid
CID 130834958
trans-(1S,2S)-2-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 102731877
[4-[(4-bromothiophen-2-yl)methyl]thiomorpholin-3-yl]methanol
CID 131115045
2-[2-(2-hydroxypropyl)piperidin-1-yl]cyclopentan-1-ol
CID 114338292
[1-(thiolan-3-yl)piperidin-2-yl]methanol
CID 83831942
trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol
CID 102732104

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol (CID 122237299) is trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol is OCC1CSCCN1[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol?
The InChIKey is SCIHTKMHODJQAX-VXRWAFEHSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-6-8-7-14-5-4-11(8)9-2-1-3-10(9)13/h8-10,12-13H,1-7H2/t8?,9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol?
trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol has a molecular weight of 217.33 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[3-(hydroxymethyl)thiomorpholin-4-yl]cyclopentan-1-ol is sourced from PubChem (CID 122237299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).