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

C10H18N2O3S — CID 115308340

IUPAC2-(1-amino-2-cyclopropylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(CN)(C1CC1)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-9(2)8(13)12(16(9,14)15)10(3,6-11)7-4-5-7/h7H,4-6,11H2,1-3H3
InChIKeyJBTBTSJJOYMJOW-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.06
Rot. Bonds3

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

2-(1-amino-2-cyclopropylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 115308340) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(1-amino-2-cyclopropylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(1-amino-2-cyclopropylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID115308340
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-(1-amino-2-cyclopropylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC(CN)(C1CC1)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-9(2)8(13)12(16(9,14)15)10(3,6-11)7-4-5-7/h7H,4-6,11H2,1-3H3
InChIKeyJBTBTSJJOYMJOW-UHFFFAOYSA-N
XLogP0.06
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
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-amino-2-cyclopropylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(1-amino-2-cyclopropylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 115308340) is 2-(1-amino-2-cyclopropylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(1-amino-2-cyclopropylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(1-amino-2-cyclopropylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC(CN)(C1CC1)N1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-(1-amino-2-cyclopropylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is JBTBTSJJOYMJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-9(2)8(13)12(16(9,14)15)10(3,6-11)7-4-5-7/h7H,4-6,11H2,1-3H3.
What are the key properties of 2-(1-amino-2-cyclopropylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(1-amino-2-cyclopropylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 246.33 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-cyclopropylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 115308340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).