1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol

C7H15NO3S — CID 2829778

IUPAC1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol
SMILESCC(C)NC1CS(=O)(=O)CC1O
InChIInChI=1S/C7H15NO3S/c1-5(2)8-6-3-12(10,11)4-7(6)9/h5-9H,3-4H2,1-2H3
InChIKeyGRFDEUUYZDTICX-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.86
Rot. Bonds2

About 1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol

1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol (PubChem CID 2829778) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol
PubChem CID2829778
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol
SMILESCC(C)NC1CS(=O)(=O)CC1O
InChIInChI=1S/C7H15NO3S/c1-5(2)8-6-3-12(10,11)4-7(6)9/h5-9H,3-4H2,1-2H3
InChIKeyGRFDEUUYZDTICX-UHFFFAOYSA-N
XLogP-0.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol?
The IUPAC name of 1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol (CID 2829778) is 1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol?
The canonical SMILES for 1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol is CC(C)NC1CS(=O)(=O)CC1O.
What is the InChIKey of 1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol?
The InChIKey is GRFDEUUYZDTICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-5(2)8-6-3-12(10,11)4-7(6)9/h5-9H,3-4H2,1-2H3.
What are the key properties of 1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol?
1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol has a molecular weight of 193.27 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-(propan-2-ylamino)thiolan-3-ol is sourced from PubChem (CID 2829778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).