1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol

C10H17N3O3S — CID 107065641

IUPAC1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol
SMILESCn1cc(CC(O)CC2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C10H17N3O3S/c1-13-6-9(11-12-13)5-10(14)4-8-2-3-17(15,16)7-8/h6,8,10,14H,2-5,7H2,1H3
InChIKeyDVQDRTGGEVUBNT-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.46
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol

1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol (PubChem CID 107065641) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol
PubChem CID107065641
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol
SMILESCn1cc(CC(O)CC2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C10H17N3O3S/c1-13-6-9(11-12-13)5-10(14)4-8-2-3-17(15,16)7-8/h6,8,10,14H,2-5,7H2,1H3
InChIKeyDVQDRTGGEVUBNT-UHFFFAOYSA-N
XLogP-0.46
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propanoic acid
CID 107045098
1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105108962
1-(1,1-dioxothian-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065689
N-[2-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propyl]-2-methylpropan-2-amine
CID 107052855
1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 105108151
1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
CID 107046208
1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105090384
1-bromo-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 155010276
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol
CID 107045995
1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046180
4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107047724

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol (CID 107065641) is 1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol is Cn1cc(CC(O)CC2CCS(=O)(=O)C2)nn1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol?
The InChIKey is DVQDRTGGEVUBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-13-6-9(11-12-13)5-10(14)4-8-2-3-17(15,16)7-8/h6,8,10,14H,2-5,7H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol?
1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol has a molecular weight of 259.33 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 107065641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).