1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea

C7H17N3OS — CID 146049128

IUPAC1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea
SMILESCNCCNC(=O)NCCSC
InChIInChI=1S/C7H17N3OS/c1-8-3-4-9-7(11)10-5-6-12-2/h8H,3-6H2,1-2H3,(H2,9,10,11)
InChIKeyNJIQAHUPJWGNNU-UHFFFAOYSA-N
MW191.30 g/mol
LogP-0.13
Rot. Bonds6

About 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea

1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea (PubChem CID 146049128) has the molecular formula C7H17N3OS and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea
PubChem CID146049128
Molecular FormulaC7H17N3OS
Molecular Weight191.30 g/mol
Exact Mass191.11
IUPAC Name1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea
SMILESCNCCNC(=O)NCCSC
InChIInChI=1S/C7H17N3OS/c1-8-3-4-9-7(11)10-5-6-12-2/h8H,3-6H2,1-2H3,(H2,9,10,11)
InChIKeyNJIQAHUPJWGNNU-UHFFFAOYSA-N
XLogP-0.13
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea 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

[2-(Methylsulfanyl)ethyl]urea
CID 248540
1,3-Bis(2-(methylsulfanyl)ethyl)urea
CID 86123774
3,3-Dimethyl-1-(2-(methylsulfanyl)ethyl)urea
CID 115575774
3,3-Dimethyl-1-(3-(methylsulfanyl)propyl)urea
CID 115636311
1-Methyl-3-(3-(methylsulfanyl)propyl)urea
CID 115640894
3-[2-(Methylamino)ethyl]-1-[2-(methylsulfanyl)ethyl]urea hydrochloride
CID 146049127
3-[2-(Dimethylamino)ethyl]-1-[2-(methylsulfanyl)ethyl]urea
CID 165670898
(2-((2-(Ethylthio)ethyl)thio)ethyl)urea
CID 3024161
Urea, N-(2-mercaptoethyl)-N'-methyl-
CID 533907
1,1-Dimethyl-3-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]urea
CID 116615726
S-{2-[(dimethylcarbamoyl)amino]ethyl} dimethylcarbamothioate
CID 91696205
N-Methyl-1-[2-(methylcarbamoylamino)ethylsulfanyl]formamide
CID 349968

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea?
The IUPAC name of 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea (CID 146049128) is 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea?
The canonical SMILES for 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea is CNCCNC(=O)NCCSC.
What is the InChIKey of 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea?
The InChIKey is NJIQAHUPJWGNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3OS/c1-8-3-4-9-7(11)10-5-6-12-2/h8H,3-6H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea?
1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea has a molecular weight of 191.30 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea is sourced from PubChem (CID 146049128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).