(3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium

C11H25N2O4S+ — CID 144904795

IUPAC(3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium
SMILESCOC(=O)CC[N+](C)(C)CCNS(=O)(=O)C(C)C
InChIInChI=1S/C11H25N2O4S/c1-10(2)18(15,16)12-7-9-13(3,4)8-6-11(14)17-5/h10,12H,6-9H2,1-5H3/q+1
InChIKeyFEIMCBBYFPAKBJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP-0.05
Rot. Bonds8

About (3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium

(3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium (PubChem CID 144904795) has the molecular formula C11H25N2O4S+ and a molecular weight of 281.40 g/mol. Its IUPAC name is (3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium.

Molecular Properties

Compound Name(3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium
PubChem CID144904795
Molecular FormulaC11H25N2O4S+
Molecular Weight281.40 g/mol
Exact Mass281.15
IUPAC Name(3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium
SMILESCOC(=O)CC[N+](C)(C)CCNS(=O)(=O)C(C)C
InChIInChI=1S/C11H25N2O4S/c1-10(2)18(15,16)12-7-9-13(3,4)8-6-11(14)17-5/h10,12H,6-9H2,1-5H3/q+1
InChIKeyFEIMCBBYFPAKBJ-UHFFFAOYSA-N
XLogP-0.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium?
The IUPAC name of (3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium (CID 144904795) is (3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium.
What is the SMILES notation for (3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium?
The canonical SMILES for (3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium is COC(=O)CC[N+](C)(C)CCNS(=O)(=O)C(C)C.
What is the InChIKey of (3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium?
The InChIKey is FEIMCBBYFPAKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2O4S/c1-10(2)18(15,16)12-7-9-13(3,4)8-6-11(14)17-5/h10,12H,6-9H2,1-5H3/q+1.
What are the key properties of (3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium?
(3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium has a molecular weight of 281.40 g/mol, XLogP of -0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-oxopropyl)-dimethyl-[2-(propan-2-ylsulfonylamino)ethyl]azanium is sourced from PubChem (CID 144904795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).