2-[2-(propylcarbamothioylamino)ethoxy]acetamide

C8H17N3O2S — CID 106235159

IUPAC2-[2-(propylcarbamothioylamino)ethoxy]acetamide
SMILESCCCNC(=S)NCCOCC(N)=O
InChIInChI=1S/C8H17N3O2S/c1-2-3-10-8(14)11-4-5-13-6-7(9)12/h2-6H2,1H3,(H2,9,12)(H2,10,11,14)
InChIKeyFEGBOFRJGMUOOO-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.64
Rot. Bonds7

About 2-[2-(propylcarbamothioylamino)ethoxy]acetamide

2-[2-(propylcarbamothioylamino)ethoxy]acetamide (PubChem CID 106235159) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[2-(propylcarbamothioylamino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(propylcarbamothioylamino)ethoxy]acetamide
PubChem CID106235159
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-[2-(propylcarbamothioylamino)ethoxy]acetamide
SMILESCCCNC(=S)NCCOCC(N)=O
InChIInChI=1S/C8H17N3O2S/c1-2-3-10-8(14)11-4-5-13-6-7(9)12/h2-6H2,1H3,(H2,9,12)(H2,10,11,14)
InChIKeyFEGBOFRJGMUOOO-UHFFFAOYSA-N
XLogP-0.64
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
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

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide
CID 106237122
2-[2-(propylamino)ethoxy]acetamide
CID 62336867
1-(2-butoxyethyl)-3-propylthiourea
CID 115595496
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
2-(propylaminooxy)acetamide
CID 112673221
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)acetamide
CID 106236362
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
CID 103658687
2-[2-(methylamino)ethoxy]acetamide;hydrochloride
CID 90229092
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide
CID 106235091
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 106236540
(2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]butanoic acid
CID 106239604

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylcarbamothioylamino)ethoxy]acetamide?
The IUPAC name of 2-[2-(propylcarbamothioylamino)ethoxy]acetamide (CID 106235159) is 2-[2-(propylcarbamothioylamino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(propylcarbamothioylamino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(propylcarbamothioylamino)ethoxy]acetamide is CCCNC(=S)NCCOCC(N)=O.
What is the InChIKey of 2-[2-(propylcarbamothioylamino)ethoxy]acetamide?
The InChIKey is FEGBOFRJGMUOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-2-3-10-8(14)11-4-5-13-6-7(9)12/h2-6H2,1H3,(H2,9,12)(H2,10,11,14).
What are the key properties of 2-[2-(propylcarbamothioylamino)ethoxy]acetamide?
2-[2-(propylcarbamothioylamino)ethoxy]acetamide has a molecular weight of 219.31 g/mol, XLogP of -0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylcarbamothioylamino)ethoxy]acetamide is sourced from PubChem (CID 106235159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).