2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane

C14H34N2O8SSi — CID 175585074

IUPAC2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane
SMILESCCCOS(=O)(=O)[Si](OCC)(OCC)OCC.CN(C)CCNC(=O)O
InChIInChI=1S/C9H22O6SSi.C5H12N2O2/c1-5-9-12-16(10,11)17(13-6-2,14-7-3)15-8-4;1-7(2)4-3-6-5(8)9/h5-9H2,1-4H3;6H,3-4H2,1-2H3,(H,8,9)
InChIKeyNVNMSBKGNACCHG-UHFFFAOYSA-N
MW418.59 g/mol
LogP1.10
Rot. Bonds13

About 2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane

2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane (PubChem CID 175585074) has the molecular formula C14H34N2O8SSi and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane.

Molecular Properties

Compound Name2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane
PubChem CID175585074
Molecular FormulaC14H34N2O8SSi
Molecular Weight418.59 g/mol
Exact Mass418.18
IUPAC Name2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane
SMILESCCCOS(=O)(=O)[Si](OCC)(OCC)OCC.CN(C)CCNC(=O)O
InChIInChI=1S/C9H22O6SSi.C5H12N2O2/c1-5-9-12-16(10,11)17(13-6-2,14-7-3)15-8-4;1-7(2)4-3-6-5(8)9/h5-9H2,1-4H3;6H,3-4H2,1-2H3,(H,8,9)
InChIKeyNVNMSBKGNACCHG-UHFFFAOYSA-N
XLogP1.10
TPSA123.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane?
The IUPAC name of 2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane (CID 175585074) is 2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane.
What is the SMILES notation for 2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane?
The canonical SMILES for 2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane is CCCOS(=O)(=O)[Si](OCC)(OCC)OCC.CN(C)CCNC(=O)O.
What is the InChIKey of 2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane?
The InChIKey is NVNMSBKGNACCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O6SSi.C5H12N2O2/c1-5-9-12-16(10,11)17(13-6-2,14-7-3)15-8-4;1-7(2)4-3-6-5(8)9/h5-9H2,1-4H3;6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane?
2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane has a molecular weight of 418.59 g/mol, XLogP of 1.10, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethylcarbamic acid;1-triethoxysilylsulfonyloxypropane is sourced from PubChem (CID 175585074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).