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

C7H18ClN3OS — CID 146049127

IUPAC1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea;hydrochloride
SMILESCNCCNC(=O)NCCSC.Cl
InChIInChI=1S/C7H17N3OS.ClH/c1-8-3-4-9-7(11)10-5-6-12-2;/h8H,3-6H2,1-2H3,(H2,9,10,11);1H
InChIKeyBECOUQGBZRYVCU-UHFFFAOYSA-N
MW227.76 g/mol
LogP0.29
Rot. Bonds6

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

1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea;hydrochloride (PubChem CID 146049127) has the molecular formula C7H18ClN3OS and a molecular weight of 227.76 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea;hydrochloride.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea;hydrochloride
PubChem CID146049127
Molecular FormulaC7H18ClN3OS
Molecular Weight227.76 g/mol
Exact Mass227.09
IUPAC Name1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea;hydrochloride
SMILESCNCCNC(=O)NCCSC.Cl
InChIInChI=1S/C7H17N3OS.ClH/c1-8-3-4-9-7(11)10-5-6-12-2;/h8H,3-6H2,1-2H3,(H2,9,10,11);1H
InChIKeyBECOUQGBZRYVCU-UHFFFAOYSA-N
XLogP0.29
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-[2-(Dimethylamino)ethyl]-1-[2-(methylsulfanyl)ethyl]urea
CID 165670898
(2-((2-(Ethylthio)ethyl)thio)ethyl)urea
CID 3024161
1-[2-(Methylamino)ethyl]-3-[2-(methylsulfanyl)ethyl]urea
CID 146049128
N-Methyl-1-[2-(methylcarbamoylamino)ethylsulfanyl]formamide
CID 349968
N-thiomorpholinocarbonyl-N,N'-dimethylethylenediamine hydrochloride
CID 18988040
N-(3,6-dithiaoctyl)-N'-methyl urea
CID 20564655
2-Ethylsulfanylethylurea
CID 21138948
2-(2-Aminoethylsulfanyl)ethylurea;hydrochloride
CID 21333540
1-Methyl-3-(2-methylsulfanylethyl)urea
CID 22949110

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea;hydrochloride?
The IUPAC name of 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea;hydrochloride (CID 146049127) is 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea;hydrochloride.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea;hydrochloride?
The canonical SMILES for 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea;hydrochloride is CNCCNC(=O)NCCSC.Cl.
What is the InChIKey of 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea;hydrochloride?
The InChIKey is BECOUQGBZRYVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3OS.ClH/c1-8-3-4-9-7(11)10-5-6-12-2;/h8H,3-6H2,1-2H3,(H2,9,10,11);1H.
What are the key properties of 1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea;hydrochloride?
1-[2-(methylamino)ethyl]-3-(2-methylsulfanylethyl)urea;hydrochloride has a molecular weight of 227.76 g/mol, XLogP of 0.29, 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;hydrochloride is sourced from PubChem (CID 146049127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).