N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine

C10H19NO3S — CID 106452157

IUPACN-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCC(C)COCCNC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-9(2)7-14-5-4-11-10-3-6-15(12,13)8-10/h3,6,9-11H,4-5,7-8H2,1-2H3
InChIKeyUKKNUBPDZCPORP-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.56
Rot. Bonds6

About N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine

N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 106452157) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID106452157
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCC(C)COCCNC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-9(2)7-14-5-4-11-10-3-6-15(12,13)8-10/h3,6,9-11H,4-5,7-8H2,1-2H3
InChIKeyUKKNUBPDZCPORP-UHFFFAOYSA-N
XLogP0.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 106452157) is N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine is CC(C)COCCNC1C=CS(=O)(=O)C1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is UKKNUBPDZCPORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-9(2)7-14-5-4-11-10-3-6-15(12,13)8-10/h3,6,9-11H,4-5,7-8H2,1-2H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 233.33 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 106452157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).