O-[2-(ethylamino)ethyl] carbamothioate

C5H12N2OS — CID 154182859

IUPACO-[2-(ethylamino)ethyl] carbamothioate
SMILESCCNCCOC(N)=S
InChIInChI=1S/C5H12N2OS/c1-2-7-3-4-8-5(6)9/h7H,2-4H2,1H3,(H2,6,9)
InChIKeyAWZKEZJCSIYZPQ-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.14
Rot. Bonds4

About O-[2-(ethylamino)ethyl] carbamothioate

O-[2-(ethylamino)ethyl] carbamothioate (PubChem CID 154182859) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is O-[2-(ethylamino)ethyl] carbamothioate.

Molecular Properties

Compound NameO-[2-(ethylamino)ethyl] carbamothioate
PubChem CID154182859
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC NameO-[2-(ethylamino)ethyl] carbamothioate
SMILESCCNCCOC(N)=S
InChIInChI=1S/C5H12N2OS/c1-2-7-3-4-8-5(6)9/h7H,2-4H2,1H3,(H2,6,9)
InChIKeyAWZKEZJCSIYZPQ-UHFFFAOYSA-N
XLogP-0.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.14
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

Methylthiocarbamic acid O-2-(dimethylamino)ethyl ester monohydrochloride
CID 24836295
Trimethyl-[2-(methylcarbamothioyloxy)ethyl]azanium
CID 18341873
N-(2-methoxyethyl)ethanethioamide
CID 20696570
O-[2-(dimethylamino)ethyl] carbamothioate
CID 54057640
N-methyl-2-(methylaminomethoxy)ethanamine
CID 57579184
N-ethyl-2-(methylaminomethoxy)ethanamine
CID 57665697
O-methyl N-(2-methoxyethyl)carbamothioate
CID 59253649
2-(aminomethoxy)-N-methylethanamine
CID 89066474
O-[2-(diethylamino)ethyl] N-methylcarbamothioate
CID 139325465
N-[2-(2-aminoethoxy)ethyl]ethanethioamide
CID 141706107
N-(2-methoxyethyl)-2-(methylamino)ethanethioamide
CID 143672636
2-(aminomethoxy)-N-ethylethanamine
CID 152484354

Frequently Asked Questions

What is the IUPAC name of O-[2-(ethylamino)ethyl] carbamothioate?
The IUPAC name of O-[2-(ethylamino)ethyl] carbamothioate (CID 154182859) is O-[2-(ethylamino)ethyl] carbamothioate.
What is the SMILES notation for O-[2-(ethylamino)ethyl] carbamothioate?
The canonical SMILES for O-[2-(ethylamino)ethyl] carbamothioate is CCNCCOC(N)=S.
What is the InChIKey of O-[2-(ethylamino)ethyl] carbamothioate?
The InChIKey is AWZKEZJCSIYZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-2-7-3-4-8-5(6)9/h7H,2-4H2,1H3,(H2,6,9).
What are the key properties of O-[2-(ethylamino)ethyl] carbamothioate?
O-[2-(ethylamino)ethyl] carbamothioate has a molecular weight of 148.23 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(ethylamino)ethyl] carbamothioate is sourced from PubChem (CID 154182859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).