N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate

C10H25NO5S2 — CID 160528402

IUPACN-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate
SMILESCCN(C(C)C)C(C)C.CS(=O)(=O)OS(C)(=O)=O
InChIInChI=1S/C8H19N.C2H6O5S2/c1-6-9(7(2)3)8(4)5;1-8(3,4)7-9(2,5)6/h7-8H,6H2,1-5H3;1-2H3
InChIKeyQVFBLLNGRCGLRG-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.05
Rot. Bonds5

About N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate

N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate (PubChem CID 160528402) has the molecular formula C10H25NO5S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate
PubChem CID160528402
Molecular FormulaC10H25NO5S2
Molecular Weight303.45 g/mol
Exact Mass303.12
IUPAC NameN-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate
SMILESCCN(C(C)C)C(C)C.CS(=O)(=O)OS(C)(=O)=O
InChIInChI=1S/C8H19N.C2H6O5S2/c1-6-9(7(2)3)8(4)5;1-8(3,4)7-9(2,5)6/h7-8H,6H2,1-5H3;1-2H3
InChIKeyQVFBLLNGRCGLRG-UHFFFAOYSA-N
XLogP1.05
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
CID 71309796
N-ethyl-N-propan-2-ylpropan-2-amine;trifluoro(methyl)-λ4-sulfane
CID 174977414
N-ethyl-N-propan-2-ylpropan-2-amine;trihydrofluoride
CID 45108321
bis(N-ethyl-N-propan-2-ylpropan-2-amine);hydrofluoride
CID 159245549
Lithium diisopropylethylamine
CID 86615685
sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride
CID 159603940
sodium;N-ethyl-N-propan-2-ylpropan-2-amine;iodide
CID 174682450
magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride
CID 174345193
N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol
CID 159144844
ethenone;N-ethyl-N-propan-2-ylpropan-2-amine
CID 91070858
dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine
CID 139533112
ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate
CID 87772214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate?
The IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate (CID 160528402) is N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate.
What is the SMILES notation for N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate?
The canonical SMILES for N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate is CCN(C(C)C)C(C)C.CS(=O)(=O)OS(C)(=O)=O.
What is the InChIKey of N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate?
The InChIKey is QVFBLLNGRCGLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H6O5S2/c1-6-9(7(2)3)8(4)5;1-8(3,4)7-9(2,5)6/h7-8H,6H2,1-5H3;1-2H3.
What are the key properties of N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate?
N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate has a molecular weight of 303.45 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylpropan-2-amine;methylsulfonyl methanesulfonate is sourced from PubChem (CID 160528402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).