N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine

C11H22N2O3S — CID 61214088

IUPACN-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCOC1CNC(CN(C)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H22N2O3S/c1-13(10-3-4-17(14,15)8-10)7-9-5-11(16-2)6-12-9/h9-12H,3-8H2,1-2H3
InChIKeySSPACRHUTZUESP-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.52
Rot. Bonds4

About N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 61214088) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID61214088
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCOC1CNC(CN(C)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H22N2O3S/c1-13(10-3-4-17(14,15)8-10)7-9-5-11(16-2)6-12-9/h9-12H,3-8H2,1-2H3
InChIKeySSPACRHUTZUESP-UHFFFAOYSA-N
XLogP-0.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 61214088) is N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is COC1CNC(CN(C)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is SSPACRHUTZUESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-13(10-3-4-17(14,15)8-10)7-9-5-11(16-2)6-12-9/h9-12H,3-8H2,1-2H3.
What are the key properties of N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 262.37 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 61214088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).