3-(thiolan-3-ylamino)oxolan-2-one

C8H13NO2S — CID 43823891

IUPAC3-(thiolan-3-ylamino)oxolan-2-one
SMILESO=C1OCCC1NC1CCSC1
InChIInChI=1S/C8H13NO2S/c10-8-7(1-3-11-8)9-6-2-4-12-5-6/h6-7,9H,1-5H2
InChIKeySZSPTADKDASBSA-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.40
Rot. Bonds2

About 3-(thiolan-3-ylamino)oxolan-2-one

3-(thiolan-3-ylamino)oxolan-2-one (PubChem CID 43823891) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-(thiolan-3-ylamino)oxolan-2-one.

Molecular Properties

Compound Name3-(thiolan-3-ylamino)oxolan-2-one
PubChem CID43823891
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name3-(thiolan-3-ylamino)oxolan-2-one
SMILESO=C1OCCC1NC1CCSC1
InChIInChI=1S/C8H13NO2S/c10-8-7(1-3-11-8)9-6-2-4-12-5-6/h6-7,9H,1-5H2
InChIKeySZSPTADKDASBSA-UHFFFAOYSA-N
XLogP0.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-3-ylamino)oxolan-2-one?
The IUPAC name of 3-(thiolan-3-ylamino)oxolan-2-one (CID 43823891) is 3-(thiolan-3-ylamino)oxolan-2-one.
What is the SMILES notation for 3-(thiolan-3-ylamino)oxolan-2-one?
The canonical SMILES for 3-(thiolan-3-ylamino)oxolan-2-one is O=C1OCCC1NC1CCSC1.
What is the InChIKey of 3-(thiolan-3-ylamino)oxolan-2-one?
The InChIKey is SZSPTADKDASBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c10-8-7(1-3-11-8)9-6-2-4-12-5-6/h6-7,9H,1-5H2.
What are the key properties of 3-(thiolan-3-ylamino)oxolan-2-one?
3-(thiolan-3-ylamino)oxolan-2-one has a molecular weight of 187.26 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-3-ylamino)oxolan-2-one is sourced from PubChem (CID 43823891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).