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

C6H14N2O3S — CID 117002966

IUPAC2-(3-methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCOCCCN1CCNS1(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-11-6-2-4-8-5-3-7-12(8,9)10/h7H,2-6H2,1H3
InChIKeyWWDYQJXKZLEFLG-UHFFFAOYSA-N
MW194.26 g/mol
LogP-0.83
Rot. Bonds4

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

2-(3-methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 117002966) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(3-methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID117002966
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name2-(3-methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCOCCCN1CCNS1(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-11-6-2-4-8-5-3-7-12(8,9)10/h7H,2-6H2,1H3
InChIKeyWWDYQJXKZLEFLG-UHFFFAOYSA-N
XLogP-0.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Methoxymethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 69113560
2-Propyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 70335313
2-(4-Methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 173224039
2-(4-Methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 173226597
N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide
CID 63765639
3-(1,1-Dioxo-1,2,5-thiadiazolidin-2-yl)propan-1-ol
CID 84768180
2-[5-(3-Methoxypropyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine
CID 96381937
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
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-(2-Methoxyethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 117002965
2-(3-Methoxypropyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 117026530

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(3-methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 117002966) is 2-(3-methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(3-methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(3-methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide is COCCCN1CCNS1(=O)=O.
What is the InChIKey of 2-(3-methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is WWDYQJXKZLEFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-11-6-2-4-8-5-3-7-12(8,9)10/h7H,2-6H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-(3-methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 194.26 g/mol, XLogP of -0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 117002966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).