N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine

C14H25NO3S — CID 104509669

IUPACN-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(C2CCS(=O)(=O)C2)CCOC1C1CC1
InChIInChI=1S/C14H25NO3S/c1-2-15-10-14(12-5-8-19(16,17)9-12)6-7-18-13(14)11-3-4-11/h11-13,15H,2-10H2,1H3
InChIKeyXVZPBAHCHTZESP-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.22
Rot. Bonds5

About N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine

N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine (PubChem CID 104509669) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine
PubChem CID104509669
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC NameN-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(C2CCS(=O)(=O)C2)CCOC1C1CC1
InChIInChI=1S/C14H25NO3S/c1-2-15-10-14(12-5-8-19(16,17)9-12)6-7-18-13(14)11-3-4-11/h11-13,15H,2-10H2,1H3
InChIKeyXVZPBAHCHTZESP-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol
CID 113420924
2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolane-3-carboxylic acid
CID 104509180
N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-1-amine
CID 65194993
3-(bromomethyl)-2,3-dicyclopropyloxolane
CID 104819666
N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine
CID 65194272
N-[[4-(1,1-dioxothiolan-3-yl)oxan-4-yl]methyl]propan-2-amine
CID 62907476
2-cyclopropyl-N-ethyl-3-methyloxolan-3-amine
CID 131155789
3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane
CID 104510773
N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine
CID 104509767
3-(4-bromophenyl)-2-(1,1-dioxothiolan-3-yl)-N-ethylpropan-1-amine
CID 62528849
N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 103014837
N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509765

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine (CID 104509669) is N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine is CCNCC1(C2CCS(=O)(=O)C2)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is XVZPBAHCHTZESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-2-15-10-14(12-5-8-19(16,17)9-12)6-7-18-13(14)11-3-4-11/h11-13,15H,2-10H2,1H3.
What are the key properties of N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine?
N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 287.43 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 104509669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).