ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen

C16H42N4O4S — CID 145385419

IUPACethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen
SMILESCC.CCNCC(=O)N1CCOCC1.CCNCCS(=O)(=O)N(C)C.[H][H].[H][H]
InChIInChI=1S/C8H16N2O2.C6H16N2O2S.C2H6.2H2/c1-2-9-7-8(11)10-3-5-12-6-4-10;1-4-7-5-6-11(9,10)8(2)3;1-2;;/h9H,2-7H2,1H3;7H,4-6H2,1-3H3;1-2H3;2*1H
InChIKeyGQDQCHNRKKIMLY-UHFFFAOYSA-N
MW386.60 g/mol
LogP0.46
Rot. Bonds8

About ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen

ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen (PubChem CID 145385419) has the molecular formula C16H42N4O4S and a molecular weight of 386.60 g/mol. Its IUPAC name is ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen
PubChem CID145385419
Molecular FormulaC16H42N4O4S
Molecular Weight386.60 g/mol
Exact Mass386.29
IUPAC Nameethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen
SMILESCC.CCNCC(=O)N1CCOCC1.CCNCCS(=O)(=O)N(C)C.[H][H].[H][H]
InChIInChI=1S/C8H16N2O2.C6H16N2O2S.C2H6.2H2/c1-2-9-7-8(11)10-3-5-12-6-4-10;1-4-7-5-6-11(9,10)8(2)3;1-2;;/h9H,2-7H2,1H3;7H,4-6H2,1-3H3;1-2H3;2*1H
InChIKeyGQDQCHNRKKIMLY-UHFFFAOYSA-N
XLogP0.46
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.60
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen?
The IUPAC name of ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen (CID 145385419) is ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen.
What is the SMILES notation for ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen?
The canonical SMILES for ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen is CC.CCNCC(=O)N1CCOCC1.CCNCCS(=O)(=O)N(C)C.[H][H].[H][H].
What is the InChIKey of ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen?
The InChIKey is GQDQCHNRKKIMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C6H16N2O2S.C2H6.2H2/c1-2-9-7-8(11)10-3-5-12-6-4-10;1-4-7-5-6-11(9,10)8(2)3;1-2;;/h9H,2-7H2,1H3;7H,4-6H2,1-3H3;1-2H3;2*1H.
What are the key properties of ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen?
ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen has a molecular weight of 386.60 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethylamino)-N,N-dimethylethanesulfonamide;2-(ethylamino)-1-morpholin-4-ylethanone;molecular hydrogen is sourced from PubChem (CID 145385419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).