N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine

C10H20N2O3S — CID 82734241

IUPACN-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine
SMILESCN(C1CCOC1)C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S/c1-12(9-2-4-15-6-9)10(7-11)3-5-16(13,14)8-10/h9H,2-8,11H2,1H3
InChIKeyHMHJXUFPDZQZKQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.78
Rot. Bonds3

About N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine

N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine (PubChem CID 82734241) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine
PubChem CID82734241
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine
SMILESCN(C1CCOC1)C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S/c1-12(9-2-4-15-6-9)10(7-11)3-5-16(13,14)8-10/h9H,2-8,11H2,1H3
InChIKeyHMHJXUFPDZQZKQ-UHFFFAOYSA-N
XLogP-0.78
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine?
The IUPAC name of N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine (CID 82734241) is N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine is CN(C1CCOC1)C1(CN)CCS(=O)(=O)C1.
What is the InChIKey of N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine?
The InChIKey is HMHJXUFPDZQZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-12(9-2-4-15-6-9)10(7-11)3-5-16(13,14)8-10/h9H,2-8,11H2,1H3.
What are the key properties of N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine?
N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine has a molecular weight of 248.35 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82734241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).