2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide

C7H16N2O3S — CID 117026530

IUPAC2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCOCCCN1CCN(C)S1(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-8-5-6-9(13(8,10)11)4-3-7-12-2/h3-7H2,1-2H3
InChIKeyWCHAFMICYVBXKH-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.48
Rot. Bonds4

About 2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide

2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 117026530) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID117026530
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCOCCCN1CCN(C)S1(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-8-5-6-9(13(8,10)11)4-3-7-12-2/h3-7H2,1-2H3
InChIKeyWCHAFMICYVBXKH-UHFFFAOYSA-N
XLogP-0.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Methoxybutyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 71248832
3-(5-Methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
CID 84773180
3-(5-Ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
CID 84780291
3-(1,1-Dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)propan-1-ol
CID 84788741
2-[5-(3-Methoxypropyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine
CID 96381937
N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 112752101
N-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 112752107
2-(3-Methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 117002966
1-(3-Methoxypropyl)-4-(pyrrolidin-1-ylsulfonyl)piperazine
CID 131937082

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 117026530) is 2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is COCCCN1CCN(C)S1(=O)=O.
What is the InChIKey of 2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is WCHAFMICYVBXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-8-5-6-9(13(8,10)11)4-3-7-12-2/h3-7H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 208.28 g/mol, XLogP of -0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 117026530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).