(1,1-dihydroxythiolan-3-yl)carbamic acid

C5H11NO4S — CID 134521879

IUPAC(1,1-dihydroxythiolan-3-yl)carbamic acid
SMILESO=C(O)NC1CCS(O)(O)C1
InChIInChI=1S/C5H11NO4S/c7-5(8)6-4-1-2-11(9,10)3-4/h4,6,9-10H,1-3H2,(H,7,8)
InChIKeyURIGDJWMJLTEPL-UHFFFAOYSA-N
MW181.21 g/mol
LogP0.78
Rot. Bonds1

About (1,1-dihydroxythiolan-3-yl)carbamic acid

(1,1-dihydroxythiolan-3-yl)carbamic acid (PubChem CID 134521879) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is (1,1-dihydroxythiolan-3-yl)carbamic acid.

Molecular Properties

Compound Name(1,1-dihydroxythiolan-3-yl)carbamic acid
PubChem CID134521879
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name(1,1-dihydroxythiolan-3-yl)carbamic acid
SMILESO=C(O)NC1CCS(O)(O)C1
InChIInChI=1S/C5H11NO4S/c7-5(8)6-4-1-2-11(9,10)3-4/h4,6,9-10H,1-3H2,(H,7,8)
InChIKeyURIGDJWMJLTEPL-UHFFFAOYSA-N
XLogP0.78
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid
CID 134262664
[(3R)-1,1-dihydroxythiolan-3-yl]hydrazine
CID 124562213
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
cyclohexylcarbamic acid;hydrate
CID 172719994
(4-iodocyclohexyl)carbamic acid
CID 68625935
N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108526860
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N-(1,1-dioxothiolan-3-yl)carbamoyl iodide
CID 126633838
[(1S,3R)-3-(methylamino)cyclopentyl]carbamic acid
CID 146636382
[(1S,3S)-3-carbamoylcyclohexyl]carbamic acid
CID 68629698
1-[(1,1-dioxothiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095028

Frequently Asked Questions

What is the IUPAC name of (1,1-dihydroxythiolan-3-yl)carbamic acid?
The IUPAC name of (1,1-dihydroxythiolan-3-yl)carbamic acid (CID 134521879) is (1,1-dihydroxythiolan-3-yl)carbamic acid.
What is the SMILES notation for (1,1-dihydroxythiolan-3-yl)carbamic acid?
The canonical SMILES for (1,1-dihydroxythiolan-3-yl)carbamic acid is O=C(O)NC1CCS(O)(O)C1.
What is the InChIKey of (1,1-dihydroxythiolan-3-yl)carbamic acid?
The InChIKey is URIGDJWMJLTEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c7-5(8)6-4-1-2-11(9,10)3-4/h4,6,9-10H,1-3H2,(H,7,8).
What are the key properties of (1,1-dihydroxythiolan-3-yl)carbamic acid?
(1,1-dihydroxythiolan-3-yl)carbamic acid has a molecular weight of 181.21 g/mol, XLogP of 0.78, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dihydroxythiolan-3-yl)carbamic acid is sourced from PubChem (CID 134521879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).