2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C11H20N2O3S — CID 79886614

IUPAC2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(NCCN1C(=O)C(C)(C)S1(=O)=O)C1CC1
InChIInChI=1S/C11H20N2O3S/c1-8(9-4-5-9)12-6-7-13-10(14)11(2,3)17(13,15)16/h8-9,12H,4-7H2,1-3H3
InChIKeyVUGSBUHBZFAQQH-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.33
Rot. Bonds5

About 2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79886614) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79886614
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(NCCN1C(=O)C(C)(C)S1(=O)=O)C1CC1
InChIInChI=1S/C11H20N2O3S/c1-8(9-4-5-9)12-6-7-13-10(14)11(2,3)17(13,15)16/h8-9,12H,4-7H2,1-3H3
InChIKeyVUGSBUHBZFAQQH-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79886614) is 2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC(NCCN1C(=O)C(C)(C)S1(=O)=O)C1CC1.
What is the InChIKey of 2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is VUGSBUHBZFAQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(9-4-5-9)12-6-7-13-10(14)11(2,3)17(13,15)16/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 260.36 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopropylethylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79886614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).