4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide

C13H27NO4S — CID 58283268

IUPAC4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)OC(OCCN1CCS(=O)(=O)CC1)C(C)C
InChIInChI=1S/C13H27NO4S/c1-11(2)13(18-12(3)4)17-8-5-14-6-9-19(15,16)10-7-14/h11-13H,5-10H2,1-4H3
InChIKeyFWOCODKQEFJLCL-UHFFFAOYSA-N
MW293.43 g/mol
LogP1.14
Rot. Bonds7

About 4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide

4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 58283268) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID58283268
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC Name4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)OC(OCCN1CCS(=O)(=O)CC1)C(C)C
InChIInChI=1S/C13H27NO4S/c1-11(2)13(18-12(3)4)17-8-5-14-6-9-19(15,16)10-7-14/h11-13H,5-10H2,1-4H3
InChIKeyFWOCODKQEFJLCL-UHFFFAOYSA-N
XLogP1.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide (CID 58283268) is 4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide is CC(C)OC(OCCN1CCS(=O)(=O)CC1)C(C)C.
What is the InChIKey of 4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is FWOCODKQEFJLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S/c1-11(2)13(18-12(3)4)17-8-5-14-6-9-19(15,16)10-7-14/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide?
4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 293.43 g/mol, XLogP of 1.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-1-propan-2-yloxypropoxy)ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58283268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).