2-butyl-1,2,5-thiadiazolidine 1,1-dioxide

C6H14N2O2S — CID 11412706

IUPAC2-butyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCCCN1CCNS1(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-2-3-5-8-6-4-7-11(8,9)10/h7H,2-6H2,1H3
InChIKeyBPWJXISHJZAQAE-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.06
Rot. Bonds3

About 2-butyl-1,2,5-thiadiazolidine 1,1-dioxide

2-butyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 11412706) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-butyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-butyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID11412706
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2-butyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCCCN1CCNS1(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-2-3-5-8-6-4-7-11(8,9)10/h7H,2-6H2,1H3
InChIKeyBPWJXISHJZAQAE-UHFFFAOYSA-N
XLogP-0.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,5-Thiadiazolidine, 2-ethyl-, 1,1-dioxide
CID 10419354
2-Isopropyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10397135
N-methyl-1-Pyrrolidinesulfonamide
CID 28784573
2-(2-Aminoethyl)-1lambda6,2,5-thiadiazolidine-1,1-dione
CID 68282469
2-Methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10393280
Pyrrolidin-1-ium-1-sulfonate
CID 70432852
3-Fluoro-1-[2-(sulfinatoamino)ethyl]pyrrolidine
CID 68850143
(3R)-3-fluoro-N-methylpyrrolidine-1-sulfonamide
CID 147632193
2-fluoro-N-methylpyrrolidine-1-sulfonamide
CID 150404316
N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]sulfamoyl fluoride
CID 169983301
N-[2-(1-propylpyrrolidin-1-ium-1-yl)ethyl]sulfamoyl fluoride
CID 169983700
3-Aminopyrrolidine-1-sulfonyl fluoride
CID 155820304

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-butyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 11412706) is 2-butyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-butyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-butyl-1,2,5-thiadiazolidine 1,1-dioxide is CCCCN1CCNS1(=O)=O.
What is the InChIKey of 2-butyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is BPWJXISHJZAQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-2-3-5-8-6-4-7-11(8,9)10/h7H,2-6H2,1H3.
What are the key properties of 2-butyl-1,2,5-thiadiazolidine 1,1-dioxide?
2-butyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 178.26 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 11412706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).