2-(2-aminoethylsulfanyl)ethylurea;hydrochloride

C5H14ClN3OS — CID 21333540

IUPAC2-(2-aminoethylsulfanyl)ethylurea;hydrochloride
SMILESCl.NCCSCCNC(N)=O
InChIInChI=1S/C5H13N3OS.ClH/c6-1-3-10-4-2-8-5(7)9;/h1-4,6H2,(H3,7,8,9);1H
InChIKeyVDOGTMJWMUQDGW-UHFFFAOYSA-N
MW199.71 g/mol
LogP-0.23
Rot. Bonds5

About 2-(2-aminoethylsulfanyl)ethylurea;hydrochloride

2-(2-aminoethylsulfanyl)ethylurea;hydrochloride (PubChem CID 21333540) has the molecular formula C5H14ClN3OS and a molecular weight of 199.71 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)ethylurea;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)ethylurea;hydrochloride
PubChem CID21333540
Molecular FormulaC5H14ClN3OS
Molecular Weight199.71 g/mol
Exact Mass199.05
IUPAC Name2-(2-aminoethylsulfanyl)ethylurea;hydrochloride
SMILESCl.NCCSCCNC(N)=O
InChIInChI=1S/C5H13N3OS.ClH/c6-1-3-10-4-2-8-5(7)9;/h1-4,6H2,(H3,7,8,9);1H
InChIKeyVDOGTMJWMUQDGW-UHFFFAOYSA-N
XLogP-0.23
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.71
LogP ≤ 5-0.23
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-(Methylamino)ethyl]-1-[2-(methylsulfanyl)ethyl]urea hydrochloride
CID 146049127
(2-((2-(Ethylthio)ethyl)thio)ethyl)urea
CID 3024161
2-(2,2,2-Trifluoroethylsulfanyl)ethylurea
CID 138991840
N-Methyl-1-[2-(methylcarbamoylamino)ethylsulfanyl]formamide
CID 349968
2-Ethenylsulfanylethylurea
CID 19811071
S-[2-(carbamoylamino)ethyl] carbamothioate
CID 20339946
N-(3,6-dithiaoctyl)-N'-methyl urea
CID 20564655
2-(2-Methylsulfanylethylsulfanyl)ethylurea
CID 20564663
3-Methylsulfanylpropylurea
CID 20756432

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)ethylurea;hydrochloride?
The IUPAC name of 2-(2-aminoethylsulfanyl)ethylurea;hydrochloride (CID 21333540) is 2-(2-aminoethylsulfanyl)ethylurea;hydrochloride.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)ethylurea;hydrochloride?
The canonical SMILES for 2-(2-aminoethylsulfanyl)ethylurea;hydrochloride is Cl.NCCSCCNC(N)=O.
What is the InChIKey of 2-(2-aminoethylsulfanyl)ethylurea;hydrochloride?
The InChIKey is VDOGTMJWMUQDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3OS.ClH/c6-1-3-10-4-2-8-5(7)9;/h1-4,6H2,(H3,7,8,9);1H.
What are the key properties of 2-(2-aminoethylsulfanyl)ethylurea;hydrochloride?
2-(2-aminoethylsulfanyl)ethylurea;hydrochloride has a molecular weight of 199.71 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)ethylurea;hydrochloride is sourced from PubChem (CID 21333540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).