1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine

C10H21NO3S — CID 115336717

IUPAC1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO3S/c1-3-5-14-7-10(11-2)9-4-6-15(12,13)8-9/h9-11H,3-8H2,1-2H3
InChIKeyVWMZPYYJUHCEOB-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.44
Rot. Bonds6

About 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine

1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine (PubChem CID 115336717) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine
PubChem CID115336717
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO3S/c1-3-5-14-7-10(11-2)9-4-6-15(12,13)8-9/h9-11H,3-8H2,1-2H3
InChIKeyVWMZPYYJUHCEOB-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.44
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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Related Compounds

1-cyclopropyl-N-methyl-2-(2-propoxyethoxy)ethanamine
CID 63907333
2-(1,1-dioxothiolan-3-yl)-4-propoxybutan-1-ol
CID 106459418
1-cyclopropyl-N-methyl-2-pentoxyethanamine
CID 63908778
1-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 115336770
1-cyclohexyl-N-methyl-2-octoxyethanamine
CID 104748974
[1-(1,1-dioxothian-2-yl)-2-propoxyethyl]hydrazine
CID 105321488
4-[2-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethyl]phenol
CID 115336672
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 55128835
1-(1,1-dioxothiolan-3-yl)-4-methyl-N-propylpentan-1-amine
CID 113289799
1-cyclopropyl-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447297
1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine
CID 115336970
methyl 2-(1,1-dioxothiolan-3-yl)-3-methoxypropanoate
CID 117238483

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine (CID 115336717) is 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine is CCCOCC(NC)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine?
The InChIKey is VWMZPYYJUHCEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-5-14-7-10(11-2)9-4-6-15(12,13)8-9/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine?
1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine has a molecular weight of 235.35 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-propoxyethanamine is sourced from PubChem (CID 115336717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).