N'-amino-2-(4-methylphenyl)sulfanylethanimidamide

C9H13N3S — CID 77111884

IUPACN'-amino-2-(4-methylphenyl)sulfanylethanimidamide
SMILESCc1ccc(SCC(N)=NN)cc1
InChIInChI=1S/C9H13N3S/c1-7-2-4-8(5-3-7)13-6-9(10)12-11/h2-5H,6,11H2,1H3,(H2,10,12)
InChIKeyNPMUZKUQZLCXRN-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.32
Rot. Bonds3

About N'-amino-2-(4-methylphenyl)sulfanylethanimidamide

N'-amino-2-(4-methylphenyl)sulfanylethanimidamide (PubChem CID 77111884) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is N'-amino-2-(4-methylphenyl)sulfanylethanimidamide.

Molecular Properties

Compound NameN'-amino-2-(4-methylphenyl)sulfanylethanimidamide
PubChem CID77111884
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC NameN'-amino-2-(4-methylphenyl)sulfanylethanimidamide
SMILESCc1ccc(SCC(N)=NN)cc1
InChIInChI=1S/C9H13N3S/c1-7-2-4-8(5-3-7)13-6-9(10)12-11/h2-5H,6,11H2,1H3,(H2,10,12)
InChIKeyNPMUZKUQZLCXRN-UHFFFAOYSA-N
XLogP1.32
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide
CID 66144390
3-(4-methylphenyl)sulfanylprop-1-en-2-amine
CID 143815010
N-carbamoyl-2-(4-methylphenyl)sulfanylacetamide
CID 8752877
[1-(4-methylphenyl)sulfanylpropan-2-ylideneamino]urea
CID 71406398
2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide
CID 66065532
1-(4-methylphenyl)sulfanyl-4-methylsulfonylbutan-2-one
CID 66064583
4-methyl-1-(4-methylphenyl)sulfanylpentan-2-one
CID 66066545
N'-amino-3-(4-methylphenyl)propanimidamide
CID 62503804
N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide
CID 66065533
2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide
CID 66065738
2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide
CID 66144205
N-[2-(dimethylamino)ethyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 142825753

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-(4-methylphenyl)sulfanylethanimidamide?
The IUPAC name of N'-amino-2-(4-methylphenyl)sulfanylethanimidamide (CID 77111884) is N'-amino-2-(4-methylphenyl)sulfanylethanimidamide.
What is the SMILES notation for N'-amino-2-(4-methylphenyl)sulfanylethanimidamide?
The canonical SMILES for N'-amino-2-(4-methylphenyl)sulfanylethanimidamide is Cc1ccc(SCC(N)=NN)cc1.
What is the InChIKey of N'-amino-2-(4-methylphenyl)sulfanylethanimidamide?
The InChIKey is NPMUZKUQZLCXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-7-2-4-8(5-3-7)13-6-9(10)12-11/h2-5H,6,11H2,1H3,(H2,10,12).
What are the key properties of N'-amino-2-(4-methylphenyl)sulfanylethanimidamide?
N'-amino-2-(4-methylphenyl)sulfanylethanimidamide has a molecular weight of 195.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-(4-methylphenyl)sulfanylethanimidamide is sourced from PubChem (CID 77111884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).