N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine

C11H23NO3S — CID 115003005

IUPACN-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine
SMILESCOCCC1(CNC(C)C)CCS(=O)(=O)C1
InChIInChI=1S/C11H23NO3S/c1-10(2)12-8-11(4-6-15-3)5-7-16(13,14)9-11/h10,12H,4-9H2,1-3H3
InChIKeyFFLBZOIONDWOMU-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.83
Rot. Bonds6

About N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine

N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine (PubChem CID 115003005) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine
PubChem CID115003005
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine
SMILESCOCCC1(CNC(C)C)CCS(=O)(=O)C1
InChIInChI=1S/C11H23NO3S/c1-10(2)12-8-11(4-6-15-3)5-7-16(13,14)9-11/h10,12H,4-9H2,1-3H3
InChIKeyFFLBZOIONDWOMU-UHFFFAOYSA-N
XLogP0.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-methoxypropyl)-1,1-dioxothiolan-3-yl]methyl]propan-1-amine
CID 55106738
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-methylbutan-2-amine
CID 115728783
N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
CID 104649326
N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine
CID 55106931
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
N-[[1-(4-methoxybutyl)cyclohexyl]methyl]propan-2-amine
CID 104649319
[3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine
CID 78963284
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-methylbutan-2-amine
CID 115728811
N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984492
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573
2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide
CID 114112889
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine
CID 115894858

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine (CID 115003005) is N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine is COCCC1(CNC(C)C)CCS(=O)(=O)C1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine?
The InChIKey is FFLBZOIONDWOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(2)12-8-11(4-6-15-3)5-7-16(13,14)9-11/h10,12H,4-9H2,1-3H3.
What are the key properties of N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine?
N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 115003005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).