2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide

C13H18N2OS — CID 114157522

IUPAC2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(OCCC2CC2)cccc1SC
InChIInChI=1S/C13H18N2OS/c1-17-11-4-2-3-10(12(11)13(14)15)16-8-7-9-5-6-9/h2-4,9H,5-8H2,1H3,(H3,14,15)
InChIKeyLPLGQMVUTHFNCZ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.87
Rot. Bonds6

About 2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide

2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide (PubChem CID 114157522) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide
PubChem CID114157522
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(OCCC2CC2)cccc1SC
InChIInChI=1S/C13H18N2OS/c1-17-11-4-2-3-10(12(11)13(14)15)16-8-7-9-5-6-9/h2-4,9H,5-8H2,1H3,(H3,14,15)
InChIKeyLPLGQMVUTHFNCZ-UHFFFAOYSA-N
XLogP2.87
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide
CID 104562371
3-(2-cyclopropylethoxy)pyridine-2-carboximidamide
CID 106202059
2-(2-cyclopropylethoxy)-6-methylsulfanylbenzonitrile
CID 106201482
2-bromo-6-methylsulfanylbenzenecarboximidamide
CID 114884401
2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide
CID 116792841
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide
CID 106587102
2-(2-cyclobutylethoxy)-6-methylsulfanylbenzonitrile
CID 114157448
1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone
CID 106202167
2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 113277398
2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide
CID 64566908
2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide
CID 107284685
2-methylsulfanyl-6-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496268

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide (CID 114157522) is 2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(OCCC2CC2)cccc1SC.
What is the InChIKey of 2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide?
The InChIKey is LPLGQMVUTHFNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-17-11-4-2-3-10(12(11)13(14)15)16-8-7-9-5-6-9/h2-4,9H,5-8H2,1H3,(H3,14,15).
What are the key properties of 2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide?
2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide has a molecular weight of 250.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 114157522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).