isoquinolin-5-yl(thiolan-3-yl)methanol

C14H15NOS — CID 105094590

IUPACisoquinolin-5-yl(thiolan-3-yl)methanol
SMILESOC(c1cccc2cnccc12)C1CCSC1
InChIInChI=1S/C14H15NOS/c16-14(11-5-7-17-9-11)13-3-1-2-10-8-15-6-4-12(10)13/h1-4,6,8,11,14,16H,5,7,9H2
InChIKeyMQXUUDHUVRLKRS-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.02
Rot. Bonds2

About isoquinolin-5-yl(thiolan-3-yl)methanol

isoquinolin-5-yl(thiolan-3-yl)methanol (PubChem CID 105094590) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is isoquinolin-5-yl(thiolan-3-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-5-yl(thiolan-3-yl)methanol
PubChem CID105094590
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Nameisoquinolin-5-yl(thiolan-3-yl)methanol
SMILESOC(c1cccc2cnccc12)C1CCSC1
InChIInChI=1S/C14H15NOS/c16-14(11-5-7-17-9-11)13-3-1-2-10-8-15-6-4-12(10)13/h1-4,6,8,11,14,16H,5,7,9H2
InChIKeyMQXUUDHUVRLKRS-UHFFFAOYSA-N
XLogP3.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-5-yl(piperidin-2-yl)methanol
CID 106634641
2-[hydroxy(thiolan-3-yl)methyl]phenol
CID 115027036
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147
(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol
CID 105484688
1,4-dioxan-2-yl(isoquinolin-5-yl)methanol
CID 65350917
N-(thian-4-yl)isoquinolin-5-amine
CID 43681409
(2-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105078522
2-cyclopropyl-1-isoquinolin-5-yl-2-methoxyethanamine
CID 116721851
(3-cyclopropylphenyl)-isoquinolin-5-ylmethanol
CID 79972222
1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65415186
N-[isoquinolin-5-yl-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445253

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl(thiolan-3-yl)methanol?
The IUPAC name of isoquinolin-5-yl(thiolan-3-yl)methanol (CID 105094590) is isoquinolin-5-yl(thiolan-3-yl)methanol.
What is the SMILES notation for isoquinolin-5-yl(thiolan-3-yl)methanol?
The canonical SMILES for isoquinolin-5-yl(thiolan-3-yl)methanol is OC(c1cccc2cnccc12)C1CCSC1.
What is the InChIKey of isoquinolin-5-yl(thiolan-3-yl)methanol?
The InChIKey is MQXUUDHUVRLKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c16-14(11-5-7-17-9-11)13-3-1-2-10-8-15-6-4-12(10)13/h1-4,6,8,11,14,16H,5,7,9H2.
What are the key properties of isoquinolin-5-yl(thiolan-3-yl)methanol?
isoquinolin-5-yl(thiolan-3-yl)methanol has a molecular weight of 245.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-yl(thiolan-3-yl)methanol is sourced from PubChem (CID 105094590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).