3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol

C13H16N2OS — CID 79949803

IUPAC3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol
SMILESCn1nc(CC2(O)CCSC2)c2ccccc21
InChIInChI=1S/C13H16N2OS/c1-15-12-5-3-2-4-10(12)11(14-15)8-13(16)6-7-17-9-13/h2-5,16H,6-9H2,1H3
InChIKeyFCBVDJBPLRQKHY-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.98
Rot. Bonds2

About 3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol

3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol (PubChem CID 79949803) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol
PubChem CID79949803
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol
SMILESCn1nc(CC2(O)CCSC2)c2ccccc21
InChIInChI=1S/C13H16N2OS/c1-15-12-5-3-2-4-10(12)11(14-15)8-13(16)6-7-17-9-13/h2-5,16H,6-9H2,1H3
InChIKeyFCBVDJBPLRQKHY-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol
CID 80699586
3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol
CID 80562974
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
1-[(1-methylindazol-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80610067
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]thiolan-3-ol
CID 79949556
4-methyl-1-[(1-methylindazol-3-yl)methyl]azepan-4-ol
CID 107407849
1-(1-hydroxycycloheptyl)-2-(1-methylindazol-3-yl)ethanone
CID 103450366
1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone
CID 116558804
1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452206
2-(1-methylindazol-3-yl)acetamide
CID 67465474
[3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol
CID 66057482
1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole
CID 79451240

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol?
The IUPAC name of 3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol (CID 79949803) is 3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol.
What is the SMILES notation for 3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol?
The canonical SMILES for 3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol is Cn1nc(CC2(O)CCSC2)c2ccccc21.
What is the InChIKey of 3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol?
The InChIKey is FCBVDJBPLRQKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-15-12-5-3-2-4-10(12)11(14-15)8-13(16)6-7-17-9-13/h2-5,16H,6-9H2,1H3.
What are the key properties of 3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol?
3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol has a molecular weight of 248.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol is sourced from PubChem (CID 79949803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).