2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide

C11H22N2O3S — CID 14405839

IUPAC2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide
SMILESCCC(N)C(=O)NC1C(C)(C)S(=O)(=O)C1(C)C
InChIInChI=1S/C11H22N2O3S/c1-6-7(12)8(14)13-9-10(2,3)17(15,16)11(9,4)5/h7,9H,6,12H2,1-5H3,(H,13,14)
InChIKeyZZRZRCIERMNWRH-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.19
Rot. Bonds3

About 2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide

2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide (PubChem CID 14405839) has the molecular formula C11H22N2O3S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide
PubChem CID14405839
Molecular FormulaC11H22N2O3S
Molecular Weight262.38 g/mol
Exact Mass262.14
IUPAC Name2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide
SMILESCCC(N)C(=O)NC1C(C)(C)S(=O)(=O)C1(C)C
InChIInChI=1S/C11H22N2O3S/c1-6-7(12)8(14)13-9-10(2,3)17(15,16)11(9,4)5/h7,9H,6,12H2,1-5H3,(H,13,14)
InChIKeyZZRZRCIERMNWRH-UHFFFAOYSA-N
XLogP0.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide?
The IUPAC name of 2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide (CID 14405839) is 2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide.
What is the SMILES notation for 2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide?
The canonical SMILES for 2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide is CCC(N)C(=O)NC1C(C)(C)S(=O)(=O)C1(C)C.
What is the InChIKey of 2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide?
The InChIKey is ZZRZRCIERMNWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-6-7(12)8(14)13-9-10(2,3)17(15,16)11(9,4)5/h7,9H,6,12H2,1-5H3,(H,13,14).
What are the key properties of 2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide?
2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide has a molecular weight of 262.38 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2,4,4-tetramethyl-1,1-dioxothietan-3-yl)butanamide is sourced from PubChem (CID 14405839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).