2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C9H18N2O3S — CID 79875441

IUPAC2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCCC(CCN)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-4-7(5-6-10)11-8(12)9(2,3)15(11,13)14/h7H,4-6,10H2,1-3H3
InChIKeyQAMJQKZXAMBQTD-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.06
Rot. Bonds4

About 2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79875441) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79875441
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCCC(CCN)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-4-7(5-6-10)11-8(12)9(2,3)15(11,13)14/h7H,4-6,10H2,1-3H3
InChIKeyQAMJQKZXAMBQTD-UHFFFAOYSA-N
XLogP0.06
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79875441) is 2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CCC(CCN)N1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is QAMJQKZXAMBQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-4-7(5-6-10)11-8(12)9(2,3)15(11,13)14/h7H,4-6,10H2,1-3H3.
What are the key properties of 2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 234.32 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentan-3-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79875441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).