1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine

C7H13NO2S — CID 60694991

IUPAC1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine
SMILESCC(C)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C7H13NO2S/c1-6(2)8-7-3-4-11(9,10)5-7/h3-4,6-8H,5H2,1-2H3
InChIKeyVRORDJKQMUEVEI-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.30
Rot. Bonds2

About 1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine

1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine (PubChem CID 60694991) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine
PubChem CID60694991
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine
SMILESCC(C)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C7H13NO2S/c1-6(2)8-7-3-4-11(9,10)5-7/h3-4,6-8H,5H2,1-2H3
InChIKeyVRORDJKQMUEVEI-UHFFFAOYSA-N
XLogP0.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.30
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-propan-2-yl-2,3-dihydrothiophen-3-amine?
The IUPAC name of 1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine (CID 60694991) is 1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for 1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine?
The canonical SMILES for 1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine is CC(C)NC1C=CS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine?
The InChIKey is VRORDJKQMUEVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-6(2)8-7-3-4-11(9,10)5-7/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine?
1,1-dioxo-N-propan-2-yl-2,3-dihydrothiophen-3-amine has a molecular weight of 175.25 g/mol, XLogP of 0.30, 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-propan-2-yl-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 60694991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).