4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol

C9H17NO4S — CID 60884877

IUPAC4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NC2CCOCC2)C1
InChIInChI=1S/C9H17NO4S/c11-9-6-15(12,13)5-8(9)10-7-1-3-14-4-2-7/h7-11H,1-6H2
InChIKeyPQALKFPHBGKJQA-UHFFFAOYSA-N
MW235.30 g/mol
LogP-1.09
Rot. Bonds2

About 4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol

4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol (PubChem CID 60884877) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol
PubChem CID60884877
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NC2CCOCC2)C1
InChIInChI=1S/C9H17NO4S/c11-9-6-15(12,13)5-8(9)10-7-1-3-14-4-2-7/h7-11H,1-6H2
InChIKeyPQALKFPHBGKJQA-UHFFFAOYSA-N
XLogP-1.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol (CID 60884877) is 4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(NC2CCOCC2)C1.
What is the InChIKey of 4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is PQALKFPHBGKJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c11-9-6-15(12,13)5-8(9)10-7-1-3-14-4-2-7/h7-11H,1-6H2.
What are the key properties of 4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol?
4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 235.30 g/mol, XLogP of -1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 60884877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).