2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C10H18N2O3S — CID 79886591

IUPAC2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(C2(CN)CCCC2)S1(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-9(2)8(13)12(16(9,14)15)10(7-11)5-3-4-6-10/h3-7,11H2,1-2H3
InChIKeyMKPFMFCTFYQDIS-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.21
Rot. Bonds2

About 2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79886591) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79886591
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(C2(CN)CCCC2)S1(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-9(2)8(13)12(16(9,14)15)10(7-11)5-3-4-6-10/h3-7,11H2,1-2H3
InChIKeyMKPFMFCTFYQDIS-UHFFFAOYSA-N
XLogP0.21
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79886591) is 2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(C2(CN)CCCC2)S1(=O)=O.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is MKPFMFCTFYQDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-9(2)8(13)12(16(9,14)15)10(7-11)5-3-4-6-10/h3-7,11H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 246.33 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79886591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).