2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C10H20N2O4S — CID 106146361

IUPAC2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCN(C)CC(C)(O)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-9(2)8(13)12(17(9,15)16)7-10(3,14)6-11(4)5/h14H,6-7H2,1-5H3
InChIKeyNHLDKEICMJHUJU-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.75
Rot. Bonds4

About 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 106146361) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID106146361
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCN(C)CC(C)(O)CN1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-9(2)8(13)12(17(9,15)16)7-10(3,14)6-11(4)5/h14H,6-7H2,1-5H3
InChIKeyNHLDKEICMJHUJU-UHFFFAOYSA-N
XLogP-0.75
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 106146361) is 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CN(C)CC(C)(O)CN1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is NHLDKEICMJHUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-9(2)8(13)12(17(9,15)16)7-10(3,14)6-11(4)5/h14H,6-7H2,1-5H3.
What are the key properties of 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 264.35 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 106146361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).