[4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine

C12H24N2O3S — CID 64568494

IUPAC[4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine
SMILESCOCC1CCN(C2(CN)CCS(=O)(=O)CC2)C1
InChIInChI=1S/C12H24N2O3S/c1-17-9-11-2-5-14(8-11)12(10-13)3-6-18(15,16)7-4-12/h11H,2-10,13H2,1H3
InChIKeyJJUXVVXOVIBXNN-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.14
Rot. Bonds4

About [4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine

[4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine (PubChem CID 64568494) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is [4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine
PubChem CID64568494
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name[4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine
SMILESCOCC1CCN(C2(CN)CCS(=O)(=O)CC2)C1
InChIInChI=1S/C12H24N2O3S/c1-17-9-11-2-5-14(8-11)12(10-13)3-6-18(15,16)7-4-12/h11H,2-10,13H2,1H3
InChIKeyJJUXVVXOVIBXNN-UHFFFAOYSA-N
XLogP-0.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine
CID 64569292
[3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine
CID 64571099
[8-[4-(methoxymethyl)piperidin-1-yl]spiro[4.5]decan-8-yl]methanamine
CID 114818158
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine
CID 103562954
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
CID 65089250
[3-(3-tert-butylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 113417076
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429059
[3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 63971308
[1-(3-propylpyrrolidin-1-yl)cycloheptyl]methanamine
CID 113417185
[1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine
CID 106586385
[3-(3-morpholin-4-ylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 63169895
[1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylcyclopentyl]methanamine
CID 79857920

Frequently Asked Questions

What is the IUPAC name of [4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine?
The IUPAC name of [4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine (CID 64568494) is [4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine.
What is the SMILES notation for [4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine?
The canonical SMILES for [4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine is COCC1CCN(C2(CN)CCS(=O)(=O)CC2)C1.
What is the InChIKey of [4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine?
The InChIKey is JJUXVVXOVIBXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-17-9-11-2-5-14(8-11)12(10-13)3-6-18(15,16)7-4-12/h11H,2-10,13H2,1H3.
What are the key properties of [4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine?
[4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine has a molecular weight of 276.40 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine is sourced from PubChem (CID 64568494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).