4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol

C12H20OS — CID 83189949

IUPAC4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol
SMILESOC1CSCC1CC1CC2CCC1C2
InChIInChI=1S/C12H20OS/c13-12-7-14-6-11(12)5-10-4-8-1-2-9(10)3-8/h8-13H,1-7H2
InChIKeyQEXJKYHMEHXNNH-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.54
Rot. Bonds2

About 4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol

4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol (PubChem CID 83189949) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol
PubChem CID83189949
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol
SMILESOC1CSCC1CC1CC2CCC1C2
InChIInChI=1S/C12H20OS/c13-12-7-14-6-11(12)5-10-4-8-1-2-9(10)3-8/h8-13H,1-7H2
InChIKeyQEXJKYHMEHXNNH-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bicyclo[2.2.1]heptanylmethylphosphane
CID 58351251
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutyl]-N-methylmethanamine
CID 81017377
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-ol
CID 116540023
2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane
CID 79550624
(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide
CID 63683998
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol (CID 83189949) is 4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol is OC1CSCC1CC1CC2CCC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol?
The InChIKey is QEXJKYHMEHXNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c13-12-7-14-6-11(12)5-10-4-8-1-2-9(10)3-8/h8-13H,1-7H2.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol?
4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol has a molecular weight of 212.36 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylmethyl)thiolan-3-ol is sourced from PubChem (CID 83189949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).