(3R)-3-pentoxythiolane 1,1-dioxide

C9H18O3S — CID 51394053

IUPAC(3R)-3-pentoxythiolane 1,1-dioxide
SMILESCCCCCO[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C9H18O3S/c1-2-3-4-6-12-9-5-7-13(10,11)8-9/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyMWQYMBACUIWRKS-SECBINFHSA-N
MW206.31 g/mol
LogP1.38
Rot. Bonds5

About (3R)-3-pentoxythiolane 1,1-dioxide

(3R)-3-pentoxythiolane 1,1-dioxide (PubChem CID 51394053) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is (3R)-3-pentoxythiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-pentoxythiolane 1,1-dioxide
PubChem CID51394053
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name(3R)-3-pentoxythiolane 1,1-dioxide
SMILESCCCCCO[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C9H18O3S/c1-2-3-4-6-12-9-5-7-13(10,11)8-9/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyMWQYMBACUIWRKS-SECBINFHSA-N
XLogP1.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-3-pentoxythiolane 1,1-dioxide 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

Thiophene, 3-(decyloxy)tetrahydro-, 1,1-dioxide
CID 86787
3,4-Diethoxytetrahydrothiophene 1,1-dioxide
CID 2831188
3-Butoxytetrahydrothiophene 1,1-dioxide
CID 350450
Furan, tetrahydro-2-((methylsulfonyl)methyl)-
CID 27251
Furan, tetrahydro-2-((methylsulfinyl)methyl)-
CID 203869
3-Methoxy-1lambda~6~-thiolane-1,1-dione
CID 287365
3-(Methylpropoxy)thiolane-1,1-dione
CID 2831209
ST50179549
CID 3813693
2-[[(R)-methylsulfinyl]methyl]oxolane
CID 10909722
Isopropyloxysulfolane
CID 18508821
Butoxysulfolane
CID 129785244
Ethoxysulfolane
CID 129789412

Frequently Asked Questions

What is the IUPAC name of (3R)-3-pentoxythiolane 1,1-dioxide?
The IUPAC name of (3R)-3-pentoxythiolane 1,1-dioxide (CID 51394053) is (3R)-3-pentoxythiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-pentoxythiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-pentoxythiolane 1,1-dioxide is CCCCCO[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-3-pentoxythiolane 1,1-dioxide?
The InChIKey is MWQYMBACUIWRKS-SECBINFHSA-N. The full InChI is InChI=1S/C9H18O3S/c1-2-3-4-6-12-9-5-7-13(10,11)8-9/h9H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-pentoxythiolane 1,1-dioxide?
(3R)-3-pentoxythiolane 1,1-dioxide has a molecular weight of 206.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pentoxythiolane 1,1-dioxide is sourced from PubChem (CID 51394053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).