4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol

C10H16N2OS — CID 114531133

IUPAC4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol
SMILESCn1ccnc1CCC1CSCC1O
InChIInChI=1S/C10H16N2OS/c1-12-5-4-11-10(12)3-2-8-6-14-7-9(8)13/h4-5,8-9,13H,2-3,6-7H2,1H3
InChIKeyULXJUOPLQJYBOZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.08
Rot. Bonds3

About 4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol

4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol (PubChem CID 114531133) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol.

Molecular Properties

Compound Name4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol
PubChem CID114531133
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol
SMILESCn1ccnc1CCC1CSCC1O
InChIInChI=1S/C10H16N2OS/c1-12-5-4-11-10(12)3-2-8-6-14-7-9(8)13/h4-5,8-9,13H,2-3,6-7H2,1H3
InChIKeyULXJUOPLQJYBOZ-UHFFFAOYSA-N
XLogP1.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorothiolan-3-yl)ethyl]-1-methylimidazole
CID 114531168
2-[2-(4-bromothiolan-3-yl)ethyl]-1-methylimidazole
CID 114531169
4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114531125
2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole
CID 114531139
1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole
CID 115410560
2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole
CID 114531144
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
N-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 114528633
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
CID 114528631
1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529718

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol?
The IUPAC name of 4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol (CID 114531133) is 4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol.
What is the SMILES notation for 4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol?
The canonical SMILES for 4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol is Cn1ccnc1CCC1CSCC1O.
What is the InChIKey of 4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol?
The InChIKey is ULXJUOPLQJYBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-12-5-4-11-10(12)3-2-8-6-14-7-9(8)13/h4-5,8-9,13H,2-3,6-7H2,1H3.
What are the key properties of 4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol?
4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol has a molecular weight of 212.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol is sourced from PubChem (CID 114531133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).