3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea

C10H22N2OS — CID 90985660

IUPAC3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCCSC(C)(C)C
InChIInChI=1S/C10H22N2OS/c1-6-12(5)9(13)11-7-8-14-10(2,3)4/h6-8H2,1-5H3,(H,11,13)
InChIKeyUYGWYDLCZGQCOW-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.18
Rot. Bonds4

About 3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea

3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea (PubChem CID 90985660) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea
PubChem CID90985660
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCCSC(C)(C)C
InChIInChI=1S/C10H22N2OS/c1-6-12(5)9(13)11-7-8-14-10(2,3)4/h6-8H2,1-5H3,(H,11,13)
InChIKeyUYGWYDLCZGQCOW-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Bis(2-(methylsulfanyl)ethyl)urea
CID 86123774
3,3-Dimethyl-1-[(thiolan-3-yl)methyl]urea
CID 107295546
3,3-Dimethyl-1-(2-(methylsulfanyl)ethyl)urea
CID 115575774
3,3-Dimethyl-1-(3-(methylsulfanyl)propyl)urea
CID 115636311
3-[2-(Dimethylamino)ethyl]-1-[2-(methylsulfanyl)ethyl]urea
CID 165670898
3-(2-Tert-butylsulfinylethyl)-1,1-diethylurea
CID 60322754
(2-((2-(Ethylthio)ethyl)thio)ethyl)urea
CID 3024161
Carbamothioic acid, N-[1-(dimethylamino)propyl]-, S-ethyl ester, hydrochloride (1:1)
CID 23619586
1,3-Bis(2-propylsulfanylethyl)urea
CID 300590
S-{2-[(dimethylcarbamoyl)amino]ethyl} dimethylcarbamothioate
CID 91696205
N-(3,6-dithiaoctyl)-N'-methyl urea
CID 20564655
2-Ethylsulfanylethylurea
CID 21138948

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea (CID 90985660) is 3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea is CCN(C)C(=O)NCCSC(C)(C)C.
What is the InChIKey of 3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea?
The InChIKey is UYGWYDLCZGQCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-6-12(5)9(13)11-7-8-14-10(2,3)4/h6-8H2,1-5H3,(H,11,13).
What are the key properties of 3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea?
3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea has a molecular weight of 218.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfanylethyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 90985660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).