N-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide

C11H22N2O3S — CID 63923923

IUPACN-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-3-12-9(2)7-11(14)13-10-5-4-6-17(15,16)8-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyODWSZPIEIVKJFZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.07
Rot. Bonds5

About N-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide

N-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide (PubChem CID 63923923) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide
PubChem CID63923923
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-3-12-9(2)7-11(14)13-10-5-4-6-17(15,16)8-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyODWSZPIEIVKJFZ-UHFFFAOYSA-N
XLogP0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide (CID 63923923) is N-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)NC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide?
The InChIKey is ODWSZPIEIVKJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-12-9(2)7-11(14)13-10-5-4-6-17(15,16)8-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide?
N-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide has a molecular weight of 262.37 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-3-(ethylamino)butanamide is sourced from PubChem (CID 63923923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).