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

C9H17NO2S — CID 50958657

IUPAC1,1-dioxo-N-pentan-3-yl-2,3-dihydrothiophen-3-amine
SMILESCCC(CC)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C9H17NO2S/c1-3-8(4-2)10-9-5-6-13(11,12)7-9/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyZWULDANSRDNCFL-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.08
Rot. Bonds4

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

1,1-dioxo-N-pentan-3-yl-2,3-dihydrothiophen-3-amine (PubChem CID 50958657) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1,1-dioxo-N-pentan-3-yl-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-pentan-3-yl-2,3-dihydrothiophen-3-amine
PubChem CID50958657
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1,1-dioxo-N-pentan-3-yl-2,3-dihydrothiophen-3-amine
SMILESCCC(CC)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C9H17NO2S/c1-3-8(4-2)10-9-5-6-13(11,12)7-9/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyZWULDANSRDNCFL-UHFFFAOYSA-N
XLogP1.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.08
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-pentan-3-yl-2,3-dihydrothiophen-3-amine?
The IUPAC name of 1,1-dioxo-N-pentan-3-yl-2,3-dihydrothiophen-3-amine (CID 50958657) is 1,1-dioxo-N-pentan-3-yl-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for 1,1-dioxo-N-pentan-3-yl-2,3-dihydrothiophen-3-amine?
The canonical SMILES for 1,1-dioxo-N-pentan-3-yl-2,3-dihydrothiophen-3-amine is CCC(CC)NC1C=CS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-pentan-3-yl-2,3-dihydrothiophen-3-amine?
The InChIKey is ZWULDANSRDNCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-8(4-2)10-9-5-6-13(11,12)7-9/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 1,1-dioxo-N-pentan-3-yl-2,3-dihydrothiophen-3-amine?
1,1-dioxo-N-pentan-3-yl-2,3-dihydrothiophen-3-amine has a molecular weight of 203.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-pentan-3-yl-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 50958657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).