azetidin-3-yl(thian-3-yl)methanol

C9H17NOS — CID 130518351

IUPACazetidin-3-yl(thian-3-yl)methanol
SMILESOC(C1CNC1)C1CCCSC1
InChIInChI=1S/C9H17NOS/c11-9(8-4-10-5-8)7-2-1-3-12-6-7/h7-11H,1-6H2
InChIKeyVBBMFNUANVMKQU-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.71
Rot. Bonds2

About azetidin-3-yl(thian-3-yl)methanol

azetidin-3-yl(thian-3-yl)methanol (PubChem CID 130518351) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is azetidin-3-yl(thian-3-yl)methanol.

Molecular Properties

Compound Nameazetidin-3-yl(thian-3-yl)methanol
PubChem CID130518351
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Nameazetidin-3-yl(thian-3-yl)methanol
SMILESOC(C1CNC1)C1CCCSC1
InChIInChI=1S/C9H17NOS/c11-9(8-4-10-5-8)7-2-1-3-12-6-7/h7-11H,1-6H2
InChIKeyVBBMFNUANVMKQU-UHFFFAOYSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thian-3-yl)butan-1-ol
CID 130518370
cyclopentyl(piperidin-3-yl)methanol
CID 80560291
(3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol
CID 105103138
2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide
CID 103063076
2-fluoro-2-(thian-3-yl)acetonitrile
CID 115012460
cyclopentyl(piperidin-4-yl)methanol
CID 54333800
1-cyclopropyl-2-(thian-3-ylamino)ethanol
CID 63295321
4-amino-2-(thian-3-yl)butan-1-ol
CID 115017955
2-fluoro-2-(thian-3-yl)ethanimidamide
CID 115014758
[4-(aminomethyl)phenyl]-(thian-3-yl)methanol
CID 115042232
piperidin-3-ylmethanediol
CID 5231808
1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-3-yl)methanol
CID 80559224

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl(thian-3-yl)methanol?
The IUPAC name of azetidin-3-yl(thian-3-yl)methanol (CID 130518351) is azetidin-3-yl(thian-3-yl)methanol.
What is the SMILES notation for azetidin-3-yl(thian-3-yl)methanol?
The canonical SMILES for azetidin-3-yl(thian-3-yl)methanol is OC(C1CNC1)C1CCCSC1.
What is the InChIKey of azetidin-3-yl(thian-3-yl)methanol?
The InChIKey is VBBMFNUANVMKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c11-9(8-4-10-5-8)7-2-1-3-12-6-7/h7-11H,1-6H2.
What are the key properties of azetidin-3-yl(thian-3-yl)methanol?
azetidin-3-yl(thian-3-yl)methanol has a molecular weight of 187.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl(thian-3-yl)methanol is sourced from PubChem (CID 130518351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).