N-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine

C11H21NO4S — CID 66474515

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CCC1OCCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S/c1-12(10-4-8-17(13,14)9-10)5-3-11-15-6-2-7-16-11/h10-11H,2-9H2,1H3
InChIKeyIEAKHWBCVPPOOK-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.26
Rot. Bonds4

About N-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 66474515) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID66474515
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CCC1OCCCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S/c1-12(10-4-8-17(13,14)9-10)5-3-11-15-6-2-7-16-11/h10-11H,2-9H2,1H3
InChIKeyIEAKHWBCVPPOOK-UHFFFAOYSA-N
XLogP0.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 66474515) is N-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine is CN(CCC1OCCCO1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is IEAKHWBCVPPOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-12(10-4-8-17(13,14)9-10)5-3-11-15-6-2-7-16-11/h10-11H,2-9H2,1H3.
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 263.36 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 66474515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).