ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane

C13H39N3O3S — CID 142616341

IUPACethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane
SMILESCC.CCNCCOCCOCCNC(=O)NCC.S.[H][H].[H][H].[H][H]
InChIInChI=1S/C11H25N3O3.C2H6.H2S.3H2/c1-3-12-5-7-16-9-10-17-8-6-14-11(15)13-4-2;1-2;;;;/h12H,3-10H2,1-2H3,(H2,13,14,15);1-2H3;1H2;3*1H
InChIKeyZRASFGCLEUBYDF-UHFFFAOYSA-N
MW317.54 g/mol
LogP1.83
Rot. Bonds11

About ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane

ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane (PubChem CID 142616341) has the molecular formula C13H39N3O3S and a molecular weight of 317.54 g/mol. Its IUPAC name is ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane.

Molecular Properties

Compound Nameethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane
PubChem CID142616341
Molecular FormulaC13H39N3O3S
Molecular Weight317.54 g/mol
Exact Mass317.27
IUPAC Nameethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane
SMILESCC.CCNCCOCCOCCNC(=O)NCC.S.[H][H].[H][H].[H][H]
InChIInChI=1S/C11H25N3O3.C2H6.H2S.3H2/c1-3-12-5-7-16-9-10-17-8-6-14-11(15)13-4-2;1-2;;;;/h12H,3-10H2,1-2H3,(H2,13,14,15);1-2H3;1H2;3*1H
InChIKeyZRASFGCLEUBYDF-UHFFFAOYSA-N
XLogP1.83
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.54
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(ethylamino)ethoxy]ethyl]-2-methylpropanamide;molecular hydrogen
CID 172574109
N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]propanamide
CID 147425516
N-[2-[2-[2-(ethylamino)ethylamino]ethoxy]ethyl]acetamide
CID 155740927
1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen
CID 142364696
ethane;2-[2-[2-(ethylamino)ethoxy]ethoxy]-N-methylacetamide
CID 163399935
4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one
CID 137458388
ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen
CID 164556898
1,3-diethylurea;ethane
CID 142885504
3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid
CID 153323532
1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
CID 22381487
1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea
CID 167243372
2-[2-(ethylamino)ethoxy]ethyl N-methylcarbamate
CID 87801035

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane?
The IUPAC name of ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane (CID 142616341) is ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane.
What is the SMILES notation for ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane?
The canonical SMILES for ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane is CC.CCNCCOCCOCCNC(=O)NCC.S.[H][H].[H][H].[H][H].
What is the InChIKey of ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane?
The InChIKey is ZRASFGCLEUBYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3.C2H6.H2S.3H2/c1-3-12-5-7-16-9-10-17-8-6-14-11(15)13-4-2;1-2;;;;/h12H,3-10H2,1-2H3,(H2,13,14,15);1-2H3;1H2;3*1H.
What are the key properties of ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane?
ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane has a molecular weight of 317.54 g/mol, XLogP of 1.83, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane is sourced from PubChem (CID 142616341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).