O-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate

C8H18N2OS — CID 170986449

IUPACO-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate
SMILESCCN(CN)C(=S)OC(C)(C)C
InChIInChI=1S/C8H18N2OS/c1-5-10(6-9)7(12)11-8(2,3)4/h5-6,9H2,1-4H3
InChIKeyUOHSAAOMVNLPTF-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.32
Rot. Bonds2

About O-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate

O-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate (PubChem CID 170986449) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is O-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate.

Molecular Properties

Compound NameO-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate
PubChem CID170986449
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC NameO-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate
SMILESCCN(CN)C(=S)OC(C)(C)C
InChIInChI=1S/C8H18N2OS/c1-5-10(6-9)7(12)11-8(2,3)4/h5-6,9H2,1-4H3
InChIKeyUOHSAAOMVNLPTF-UHFFFAOYSA-N
XLogP1.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
2-(diethylcarbamothioyloxy)ethyl-trimethylazanium
CID 88526633
N,N-diethylpropanethioamide
CID 638150
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602684
O-propyl N-butyl-N-ethylcarbamothioate
CID 19870866
tert-butyl 2-[[amino(diethylamino)methylidene]amino]acetate
CID 111801484
O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate
CID 140514476
diethylcarbamodithioic acid;lanthanum
CID 174709287
alumane;diethylcarbamodithioic acid
CID 174602064
diethylcarbamodithioic acid;molybdenum
CID 159441063

Frequently Asked Questions

What is the IUPAC name of O-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate?
The IUPAC name of O-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate (CID 170986449) is O-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate.
What is the SMILES notation for O-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate?
The canonical SMILES for O-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate is CCN(CN)C(=S)OC(C)(C)C.
What is the InChIKey of O-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate?
The InChIKey is UOHSAAOMVNLPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-5-10(6-9)7(12)11-8(2,3)4/h5-6,9H2,1-4H3.
What are the key properties of O-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate?
O-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate has a molecular weight of 190.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-tert-butyl N-(aminomethyl)-N-ethylcarbamothioate is sourced from PubChem (CID 170986449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).