3-(piperidin-1-ylmethyl)thiolan-3-ol

C10H19NOS — CID 84733863

IUPAC3-(piperidin-1-ylmethyl)thiolan-3-ol
SMILESOC1(CN2CCCCC2)CCSC1
InChIInChI=1S/C10H19NOS/c12-10(4-7-13-9-10)8-11-5-2-1-3-6-11/h12H,1-9H2
InChIKeyMJFFZJOYYJTTPQ-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.34
Rot. Bonds2

About 3-(piperidin-1-ylmethyl)thiolan-3-ol

3-(piperidin-1-ylmethyl)thiolan-3-ol (PubChem CID 84733863) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)thiolan-3-ol.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)thiolan-3-ol
PubChem CID84733863
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name3-(piperidin-1-ylmethyl)thiolan-3-ol
SMILESOC1(CN2CCCCC2)CCSC1
InChIInChI=1S/C10H19NOS/c12-10(4-7-13-9-10)8-11-5-2-1-3-6-11/h12H,1-9H2
InChIKeyMJFFZJOYYJTTPQ-UHFFFAOYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

2-Methyl-1-thiomorpholin-4-ylpentan-2-ol
CID 69729823
2-Methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol
CID 130490428
1-(Thiomorpholin-4-ylmethyl)cyclopentan-1-ol
CID 65213206
1-(2-Ethylthiomorpholin-4-yl)-2-methylpropan-2-ol
CID 71988549
4-[(Dimethylamino)methyl]thian-4-ol
CID 84732088
3-[(Dimethylamino)methyl]thian-3-ol
CID 84732089
3-(Azetidin-1-ylmethyl)thian-3-ol
CID 84732872
3-(Diethylaminomethyl)thiolan-3-ol
CID 84732966
4-(Pyrrolidin-1-ylmethyl)thian-4-ol
CID 84733860
3-(Pyrrolidin-1-ylmethyl)thian-3-ol
CID 84733862
3-(Morpholin-4-ylmethyl)thiolan-3-ol
CID 84733988
3-(Diethylaminomethyl)thian-3-ol
CID 84734001

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)thiolan-3-ol?
The IUPAC name of 3-(piperidin-1-ylmethyl)thiolan-3-ol (CID 84733863) is 3-(piperidin-1-ylmethyl)thiolan-3-ol.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)thiolan-3-ol?
The canonical SMILES for 3-(piperidin-1-ylmethyl)thiolan-3-ol is OC1(CN2CCCCC2)CCSC1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)thiolan-3-ol?
The InChIKey is MJFFZJOYYJTTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c12-10(4-7-13-9-10)8-11-5-2-1-3-6-11/h12H,1-9H2.
What are the key properties of 3-(piperidin-1-ylmethyl)thiolan-3-ol?
3-(piperidin-1-ylmethyl)thiolan-3-ol has a molecular weight of 201.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)thiolan-3-ol is sourced from PubChem (CID 84733863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).