2-(anilinocarbamothioylamino)ethyl-dimethylazanium

C11H19N4S+ — CID 8657059

IUPAC2-(anilinocarbamothioylamino)ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=S)NNc1ccccc1
InChIInChI=1S/C11H18N4S/c1-15(2)9-8-12-11(16)14-13-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3,(H2,12,14,16)/p+1
InChIKeyFELVTFLNJUMVMY-UHFFFAOYSA-O
MW239.37 g/mol
LogP-0.38
Rot. Bonds5

About 2-(anilinocarbamothioylamino)ethyl-dimethylazanium

2-(anilinocarbamothioylamino)ethyl-dimethylazanium (PubChem CID 8657059) has the molecular formula C11H19N4S+ and a molecular weight of 239.37 g/mol. Its IUPAC name is 2-(anilinocarbamothioylamino)ethyl-dimethylazanium.

Molecular Properties

Compound Name2-(anilinocarbamothioylamino)ethyl-dimethylazanium
PubChem CID8657059
Molecular FormulaC11H19N4S+
Molecular Weight239.37 g/mol
Exact Mass239.13
IUPAC Name2-(anilinocarbamothioylamino)ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=S)NNc1ccccc1
InChIInChI=1S/C11H18N4S/c1-15(2)9-8-12-11(16)14-13-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3,(H2,12,14,16)/p+1
InChIKeyFELVTFLNJUMVMY-UHFFFAOYSA-O
XLogP-0.38
TPSA40.53 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

dimethyl-[2-(phenylcarbamothioylamino)ethyl]azanium
CID 4745810
dimethyl-[2-[(3-methylanilino)carbamothioylamino]ethyl]azanium
CID 8668755
2-[(4-anilinophenyl)carbamothioylamino]ethyl-dimethylazanium
CID 8615902
2-[[(3-bromophenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium
CID 9238524
2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium
CID 8616850
dimethyl-[2-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamothioylamino]ethyl]azanium
CID 8619130
2-[(4-chlorophenyl)carbamothioylamino]ethyl-dimethylazanium
CID 6945123
1-anilino-3-[(4-methoxyphenyl)methyl]thiourea
CID 4850556
2-[(4-tert-butylphenyl)carbamothioylamino]ethyl-dimethylazanium
CID 8620616
4-[2-(2-phenylethylcarbamothioyl)hydrazinyl]benzoic acid
CID 8655317
2-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioylamino]ethyl-dimethylazanium
CID 8768000
1-(4-methylanilino)-3-phenylthiourea
CID 3293751

Frequently Asked Questions

What is the IUPAC name of 2-(anilinocarbamothioylamino)ethyl-dimethylazanium?
The IUPAC name of 2-(anilinocarbamothioylamino)ethyl-dimethylazanium (CID 8657059) is 2-(anilinocarbamothioylamino)ethyl-dimethylazanium.
What is the SMILES notation for 2-(anilinocarbamothioylamino)ethyl-dimethylazanium?
The canonical SMILES for 2-(anilinocarbamothioylamino)ethyl-dimethylazanium is C[NH+](C)CCNC(=S)NNc1ccccc1.
What is the InChIKey of 2-(anilinocarbamothioylamino)ethyl-dimethylazanium?
The InChIKey is FELVTFLNJUMVMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18N4S/c1-15(2)9-8-12-11(16)14-13-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3,(H2,12,14,16)/p+1.
What are the key properties of 2-(anilinocarbamothioylamino)ethyl-dimethylazanium?
2-(anilinocarbamothioylamino)ethyl-dimethylazanium has a molecular weight of 239.37 g/mol, XLogP of -0.38, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anilinocarbamothioylamino)ethyl-dimethylazanium is sourced from PubChem (CID 8657059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).