1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol

C5H12N2O3S — CID 149403844

IUPAC1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol
SMILESCC(C)N1CC(O)NS1(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-4(2)7-3-5(8)6-11(7,9)10/h4-6,8H,3H2,1-2H3
InChIKeyYPXFRRSENNVRBG-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.14
Rot. Bonds1

About 1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol

1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol (PubChem CID 149403844) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol.

Molecular Properties

Compound Name1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol
PubChem CID149403844
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol
SMILESCC(C)N1CC(O)NS1(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-4(2)7-3-5(8)6-11(7,9)10/h4-6,8H,3H2,1-2H3
InChIKeyYPXFRRSENNVRBG-UHFFFAOYSA-N
XLogP-1.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1,1-dioxo-2-propan-2-yl-1,2,6-thiadiazinane-4-carboxylic acid
CID 165463685
2-tert-butyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 174934450
4-methyl-2-propan-2-ylthiazinane 1,1-dioxide
CID 67806027
4,7-dimethyl-1,4-diazepan-2-ol;ethane
CID 142873717
(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane
CID 168910991
7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
CID 176597021
3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one
CID 165157963
2,2-dioxo-3-propan-2-yl-1,4-dihydro-2λ6,1,3-benzothiadiazine-8-carboxylic acid
CID 67600489
5-methyl-3-propan-2-yl-1,4-thiazepane 1,1-dioxide
CID 79395756
2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119923921
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-propan-2-ylpyrazol-4-yl]methanone
CID 125147062
(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
CID 163526675

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol?
The IUPAC name of 1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol (CID 149403844) is 1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol.
What is the SMILES notation for 1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol?
The canonical SMILES for 1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol is CC(C)N1CC(O)NS1(=O)=O.
What is the InChIKey of 1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol?
The InChIKey is YPXFRRSENNVRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-4(2)7-3-5(8)6-11(7,9)10/h4-6,8H,3H2,1-2H3.
What are the key properties of 1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol?
1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol has a molecular weight of 180.23 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-5-propan-2-yl-1,2,5-thiadiazolidin-3-ol is sourced from PubChem (CID 149403844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).