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

C12H24N2O3S — CID 64571099

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

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

[3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine (PubChem CID 64571099) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is [3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine
PubChem CID64571099
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name[3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine
SMILESCOCC1CCN(C2(CN)CCCS(=O)(=O)C2)C1
InChIInChI=1S/C12H24N2O3S/c1-17-8-11-3-5-14(7-11)12(9-13)4-2-6-18(15,16)10-12/h11H,2-10,13H2,1H3
InChIKeyQUTZNFHOMFTCIM-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

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine?
The IUPAC name of [3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine (CID 64571099) is [3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine.
What is the SMILES notation for [3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine?
The canonical SMILES for [3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine is COCC1CCN(C2(CN)CCCS(=O)(=O)C2)C1.
What is the InChIKey of [3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine?
The InChIKey is QUTZNFHOMFTCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-17-8-11-3-5-14(7-11)12(9-13)4-2-6-18(15,16)10-12/h11H,2-10,13H2,1H3.
What are the key properties of [3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine?
[3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-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 [3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine is sourced from PubChem (CID 64571099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).