3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide

C11H16N2S — CID 107111025

IUPAC3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1SC(C)C
InChIInChI=1S/C11H16N2S/c1-7(2)14-10-8(3)5-4-6-9(10)11(12)13/h4-7H,1-3H3,(H3,12,13)
InChIKeyABZUDPYREALOFH-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.78
Rot. Bonds3

About 3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide

3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide (PubChem CID 107111025) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide
PubChem CID107111025
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1SC(C)C
InChIInChI=1S/C11H16N2S/c1-7(2)14-10-8(3)5-4-6-9(10)11(12)13/h4-7H,1-3H3,(H3,12,13)
InChIKeyABZUDPYREALOFH-UHFFFAOYSA-N
XLogP2.78
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-carbamimidoyl-6-methylphenyl)sulfanyl-N-propan-2-ylacetamide
CID 114233763
3-methyl-2-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 107111029
3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107110148
3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 107111032
3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 107110036
2,6-dimethylbenzenecarboximidamide
CID 5047790
2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide
CID 130560252
2-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110403
4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 81302880
2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
3-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 107110765
3-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]benzenecarboximidamide
CID 107110371

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide?
The IUPAC name of 3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide (CID 107111025) is 3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide?
The canonical SMILES for 3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1SC(C)C.
What is the InChIKey of 3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide?
The InChIKey is ABZUDPYREALOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-7(2)14-10-8(3)5-4-6-9(10)11(12)13/h4-7H,1-3H3,(H3,12,13).
What are the key properties of 3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide?
3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide has a molecular weight of 208.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 107111025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).