3-(azetidin-1-ylmethyl)thian-3-ol

C9H17NOS — CID 84732872

IUPAC3-(azetidin-1-ylmethyl)thian-3-ol
SMILESOC1(CN2CCC2)CCCSC1
InChIInChI=1S/C9H17NOS/c11-9(3-1-6-12-8-9)7-10-4-2-5-10/h11H,1-8H2
InChIKeyDRUBEQWYYJCBRQ-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.95
Rot. Bonds2

About 3-(azetidin-1-ylmethyl)thian-3-ol

3-(azetidin-1-ylmethyl)thian-3-ol (PubChem CID 84732872) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 3-(azetidin-1-ylmethyl)thian-3-ol.

Molecular Properties

Compound Name3-(azetidin-1-ylmethyl)thian-3-ol
PubChem CID84732872
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name3-(azetidin-1-ylmethyl)thian-3-ol
SMILESOC1(CN2CCC2)CCCSC1
InChIInChI=1S/C9H17NOS/c11-9(3-1-6-12-8-9)7-10-4-2-5-10/h11H,1-8H2
InChIKeyDRUBEQWYYJCBRQ-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-thiomorpholin-4-ylpentan-2-ol
CID 69729823
(3S)-3-methyl-1-[1-(thietan-2-yl)ethyl]piperidin-3-ol
CID 156168274
1-Methyl-3-(thian-4-yl)azetidin-3-ol
CID 83817741
3-[(Dimethylamino)methyl]thian-3-ol
CID 84732089
4-(Azetidin-1-ylmethyl)thian-4-ol
CID 84732871
4-[2-(Azetidin-1-yl)ethyl]thian-4-ol
CID 84733859
3-[2-(Azetidin-1-yl)ethyl]thian-3-ol
CID 84733861
3-(Pyrrolidin-1-ylmethyl)thian-3-ol
CID 84733862
3-(Piperidin-1-ylmethyl)thiolan-3-ol
CID 84733863
3-(Diethylaminomethyl)thian-3-ol
CID 84734001
3-(Piperidin-1-ylmethyl)thian-3-ol
CID 84734952
2-Methyl-1-methylsulfanyl-3-(3-propylazetidin-1-yl)propan-2-ol
CID 106246329

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-ylmethyl)thian-3-ol?
The IUPAC name of 3-(azetidin-1-ylmethyl)thian-3-ol (CID 84732872) is 3-(azetidin-1-ylmethyl)thian-3-ol.
What is the SMILES notation for 3-(azetidin-1-ylmethyl)thian-3-ol?
The canonical SMILES for 3-(azetidin-1-ylmethyl)thian-3-ol is OC1(CN2CCC2)CCCSC1.
What is the InChIKey of 3-(azetidin-1-ylmethyl)thian-3-ol?
The InChIKey is DRUBEQWYYJCBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c11-9(3-1-6-12-8-9)7-10-4-2-5-10/h11H,1-8H2.
What are the key properties of 3-(azetidin-1-ylmethyl)thian-3-ol?
3-(azetidin-1-ylmethyl)thian-3-ol has a molecular weight of 187.31 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-ylmethyl)thian-3-ol is sourced from PubChem (CID 84732872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).