N-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine

C11H22N2O3S — CID 66247365

IUPACN-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine
SMILESCNC1COCC1CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-11(3-4-17(14,15)8-11)13-5-9-6-16-7-10(9)12-2/h9-10,12-13H,3-8H2,1-2H3
InChIKeyNOBYQJCLMZZGSU-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.61
Rot. Bonds4

About N-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine

N-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine (PubChem CID 66247365) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine
PubChem CID66247365
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine
SMILESCNC1COCC1CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-11(3-4-17(14,15)8-11)13-5-9-6-16-7-10(9)12-2/h9-10,12-13H,3-8H2,1-2H3
InChIKeyNOBYQJCLMZZGSU-UHFFFAOYSA-N
XLogP-0.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine (CID 66247365) is N-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine is CNC1COCC1CNC1(C)CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine?
The InChIKey is NOBYQJCLMZZGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(3-4-17(14,15)8-11)13-5-9-6-16-7-10(9)12-2/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of N-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine?
N-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine has a molecular weight of 262.37 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66247365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).