1,1-dioxo-N-phenylthiolan-3-amine

C10H13NO2S — CID 2897761

IUPAC1,1-dioxo-N-phenylthiolan-3-amine
SMILESO=S1(=O)CCC(Nc2ccccc2)C1
InChIInChI=1S/C10H13NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyBGIRRCNOGXPKCK-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.29
Rot. Bonds2

About 1,1-dioxo-N-phenylthiolan-3-amine

1,1-dioxo-N-phenylthiolan-3-amine (PubChem CID 2897761) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1,1-dioxo-N-phenylthiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-phenylthiolan-3-amine
PubChem CID2897761
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1,1-dioxo-N-phenylthiolan-3-amine
SMILESO=S1(=O)CCC(Nc2ccccc2)C1
InChIInChI=1S/C10H13NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyBGIRRCNOGXPKCK-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-phenylthiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-phenylthiolan-3-amine (CID 2897761) is 1,1-dioxo-N-phenylthiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-phenylthiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-phenylthiolan-3-amine is O=S1(=O)CCC(Nc2ccccc2)C1.
What is the InChIKey of 1,1-dioxo-N-phenylthiolan-3-amine?
The InChIKey is BGIRRCNOGXPKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of 1,1-dioxo-N-phenylthiolan-3-amine?
1,1-dioxo-N-phenylthiolan-3-amine has a molecular weight of 211.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-phenylthiolan-3-amine is sourced from PubChem (CID 2897761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).