N-[2-(2-ethoxyethylamino)ethyl]ethanethioamide

C8H18N2OS — CID 143306100

IUPACN-[2-(2-ethoxyethylamino)ethyl]ethanethioamide
SMILESCCOCCNCCNC(C)=S
InChIInChI=1S/C8H18N2OS/c1-3-11-7-6-9-4-5-10-8(2)12/h9H,3-7H2,1-2H3,(H,10,12)
InChIKeyQHHXZJQLWDTBDU-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.55
Rot. Bonds7

About N-[2-(2-ethoxyethylamino)ethyl]ethanethioamide

N-[2-(2-ethoxyethylamino)ethyl]ethanethioamide (PubChem CID 143306100) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is N-[2-(2-ethoxyethylamino)ethyl]ethanethioamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyethylamino)ethyl]ethanethioamide
PubChem CID143306100
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC NameN-[2-(2-ethoxyethylamino)ethyl]ethanethioamide
SMILESCCOCCNCCNC(C)=S
InChIInChI=1S/C8H18N2OS/c1-3-11-7-6-9-4-5-10-8(2)12/h9H,3-7H2,1-2H3,(H,10,12)
InChIKeyQHHXZJQLWDTBDU-UHFFFAOYSA-N
XLogP0.55
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oxamide, N,N'-bis(2-methoxyethyl)dithio-
CID 3032813
N'-[2-(2-ethoxyethylamino)ethyl]ethane-1,2-diamine
CID 19028056
N-(2-methoxyethyl)ethanethioamide
CID 20696570
N-(2-morpholin-4-ylethyl)ethanethioamide
CID 20696571
N'-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 62559952
N-(2-methoxyethyl)carbamodithioate;triethylazanium
CID 87956830
O-(2-aminoethyl) 2-(diethylamino)ethanethioate
CID 88393555
N-(2-morpholin-4-ylethyl)propanethioamide
CID 130369501
N-[2-(2-aminoethoxy)ethyl]ethanethioamide
CID 141706107
ethane;N'-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 142094887
N-(2-methoxyethyl)-2-(methylamino)ethanethioamide
CID 143672636
ethane;N-(2-morpholin-4-ylethyl)ethanethioamide
CID 145682619

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyethylamino)ethyl]ethanethioamide?
The IUPAC name of N-[2-(2-ethoxyethylamino)ethyl]ethanethioamide (CID 143306100) is N-[2-(2-ethoxyethylamino)ethyl]ethanethioamide.
What is the SMILES notation for N-[2-(2-ethoxyethylamino)ethyl]ethanethioamide?
The canonical SMILES for N-[2-(2-ethoxyethylamino)ethyl]ethanethioamide is CCOCCNCCNC(C)=S.
What is the InChIKey of N-[2-(2-ethoxyethylamino)ethyl]ethanethioamide?
The InChIKey is QHHXZJQLWDTBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-3-11-7-6-9-4-5-10-8(2)12/h9H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-[2-(2-ethoxyethylamino)ethyl]ethanethioamide?
N-[2-(2-ethoxyethylamino)ethyl]ethanethioamide has a molecular weight of 190.31 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyethylamino)ethyl]ethanethioamide is sourced from PubChem (CID 143306100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).