N-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine

C11H23NO4S — CID 43511682

IUPACN-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine
SMILESCOCCOCCCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO4S/c1-15-7-8-16-6-2-5-12-11-3-9-17(13,14)10-4-11/h11-12H,2-10H2,1H3
InChIKeyJUIZLWVCQIDHEB-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.21
Rot. Bonds8

About N-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine

N-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine (PubChem CID 43511682) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine
PubChem CID43511682
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine
SMILESCOCCOCCCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO4S/c1-15-7-8-16-6-2-5-12-11-3-9-17(13,14)10-4-11/h11-12H,2-10H2,1H3
InChIKeyJUIZLWVCQIDHEB-UHFFFAOYSA-N
XLogP0.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine (CID 43511682) is N-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine is COCCOCCCNC1CCS(=O)(=O)CC1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine?
The InChIKey is JUIZLWVCQIDHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-15-7-8-16-6-2-5-12-11-3-9-17(13,14)10-4-11/h11-12H,2-10H2,1H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine?
N-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine has a molecular weight of 265.37 g/mol, XLogP of 0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine is sourced from PubChem (CID 43511682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).