4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol

C8H15NO4S — CID 60896483

IUPAC4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol
SMILESO=S1(=O)CCC(NC2COCC2O)C1
InChIInChI=1S/C8H15NO4S/c10-8-4-13-3-7(8)9-6-1-2-14(11,12)5-6/h6-10H,1-5H2
InChIKeyOVLPGUATOVSPGQ-UHFFFAOYSA-N
MW221.28 g/mol
LogP-1.48
Rot. Bonds2

About 4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol

4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol (PubChem CID 60896483) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol
PubChem CID60896483
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol
SMILESO=S1(=O)CCC(NC2COCC2O)C1
InChIInChI=1S/C8H15NO4S/c10-8-4-13-3-7(8)9-6-1-2-14(11,12)5-6/h6-10H,1-5H2
InChIKeyOVLPGUATOVSPGQ-UHFFFAOYSA-N
XLogP-1.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol
CID 130610256
[2-[(1,1-dioxothiolan-3-yl)amino]cyclopropyl]methanol
CID 131041538
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
[2-[(1,1-dioxothiolan-3-yl)amino]cyclohexyl]methanol
CID 104866380
N-(2-methylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 16784113
(3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol
CID 126846702
N-(1,1-dioxothiolan-3-yl)oxepan-4-amine
CID 65076764
N-(2,4-dimethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 63993922
N-(2-methoxycyclohexyl)-1,1-dioxothiolan-3-amine
CID 43757116
N-(2-ethylcyclopentyl)-1,1-dioxothiolan-3-amine
CID 115707658
1-(1,1-dioxothiolan-3-yl)-3-(oxolan-3-yl)urea
CID 115755745
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol?
The IUPAC name of 4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol (CID 60896483) is 4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol?
The canonical SMILES for 4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol is O=S1(=O)CCC(NC2COCC2O)C1.
What is the InChIKey of 4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol?
The InChIKey is OVLPGUATOVSPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c10-8-4-13-3-7(8)9-6-1-2-14(11,12)5-6/h6-10H,1-5H2.
What are the key properties of 4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol?
4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol has a molecular weight of 221.28 g/mol, XLogP of -1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothiolan-3-yl)amino]oxolan-3-ol is sourced from PubChem (CID 60896483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).