2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide

C7H16N2O3S — CID 173226597

IUPAC2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCOCCC(C)N1CCNS1(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-7(3-6-12-2)9-5-4-8-13(9,10)11/h7-8H,3-6H2,1-2H3
InChIKeyDBQKBKQVZVKCHY-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.44
Rot. Bonds4

About 2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide

2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 173226597) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID173226597
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCOCCC(C)N1CCNS1(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-7(3-6-12-2)9-5-4-8-13(9,10)11/h7-8H,3-6H2,1-2H3
InChIKeyDBQKBKQVZVKCHY-UHFFFAOYSA-N
XLogP-0.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methoxybutyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 173224039
1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 63764888
N-(2-amino-3-methoxypropyl)-N-methylpyrrolidine-1-sulfonamide
CID 63765639
2-[5-(3-Methoxypropyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanamine
CID 96381937
(3R)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine
CID 104978707
(3S)-N-(2-methoxyethylsulfamoyl)pyrrolidin-3-amine
CID 104978709
(3R)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 104978711
(3S)-3-amino-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 104978713
N-(1-amino-3-methoxypropan-2-yl)pyrrolidine-1-sulfonamide
CID 106181245
N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]oxan-4-amine
CID 112752084
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 173226597) is 2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide is COCCC(C)N1CCNS1(=O)=O.
What is the InChIKey of 2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is DBQKBKQVZVKCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-7(3-6-12-2)9-5-4-8-13(9,10)11/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 208.28 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 173226597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).