2-propyl-1,2,5-thiadiazolidine 1,1-dioxide

C5H12N2O2S — CID 70335313

IUPAC2-propyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCCN1CCNS1(=O)=O
InChIInChI=1S/C5H12N2O2S/c1-2-4-7-5-3-6-10(7,8)9/h6H,2-5H2,1H3
InChIKeyMCQLHRTXWUYUTN-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.45
Rot. Bonds2

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

2-propyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 70335313) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-propyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-propyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID70335313
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name2-propyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCCN1CCNS1(=O)=O
InChIInChI=1S/C5H12N2O2S/c1-2-4-7-5-3-6-10(7,8)9/h6H,2-5H2,1H3
InChIKeyMCQLHRTXWUYUTN-UHFFFAOYSA-N
XLogP-0.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.45
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
2-(Prop-2-yn-1-yl)-1lambda6,2,5-thiadiazolidine-1,1-dione
CID 97628793
N-(2-aminoethyl)-N-propylsulfamoyl fluoride
CID 57583517
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
2-Butyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 11412706
2-(tert-Butyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 12412514
2,4-Dimethyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 19873535

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-propyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 70335313) is 2-propyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-propyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-propyl-1,2,5-thiadiazolidine 1,1-dioxide is CCCN1CCNS1(=O)=O.
What is the InChIKey of 2-propyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is MCQLHRTXWUYUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-2-4-7-5-3-6-10(7,8)9/h6H,2-5H2,1H3.
What are the key properties of 2-propyl-1,2,5-thiadiazolidine 1,1-dioxide?
2-propyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 164.23 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 70335313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).