2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol

C12H23NO4S — CID 23941173

IUPAC2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol
SMILESCC(C)(O)C1C(N2CCOCC2)S(=O)(=O)C1(C)C
InChIInChI=1S/C12H23NO4S/c1-11(2,14)9-10(13-5-7-17-8-6-13)18(15,16)12(9,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyWXMLZJWCSAZDPN-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.24
Rot. Bonds2

About 2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol

2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol (PubChem CID 23941173) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol
PubChem CID23941173
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol
SMILESCC(C)(O)C1C(N2CCOCC2)S(=O)(=O)C1(C)C
InChIInChI=1S/C12H23NO4S/c1-11(2,14)9-10(13-5-7-17-8-6-13)18(15,16)12(9,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyWXMLZJWCSAZDPN-UHFFFAOYSA-N
XLogP0.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol?
The IUPAC name of 2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol (CID 23941173) is 2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol.
What is the SMILES notation for 2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol?
The canonical SMILES for 2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol is CC(C)(O)C1C(N2CCOCC2)S(=O)(=O)C1(C)C.
What is the InChIKey of 2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol?
The InChIKey is WXMLZJWCSAZDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-11(2,14)9-10(13-5-7-17-8-6-13)18(15,16)12(9,3)4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol?
2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol has a molecular weight of 277.39 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol is sourced from PubChem (CID 23941173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).