4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide

C12H18N2OS — CID 81303543

IUPAC4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1SCC(C)C
InChIInChI=1S/C12H18N2OS/c1-8(2)7-16-11-6-9(15-3)4-5-10(11)12(13)14/h4-6,8H,7H2,1-3H3,(H3,13,14)
InChIKeyFIBNMPCHWUPERG-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.73
Rot. Bonds5

About 4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide

4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide (PubChem CID 81303543) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide
PubChem CID81303543
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1SCC(C)C
InChIInChI=1S/C12H18N2OS/c1-8(2)7-16-11-6-9(15-3)4-5-10(11)12(13)14/h4-6,8H,7H2,1-3H3,(H3,13,14)
InChIKeyFIBNMPCHWUPERG-UHFFFAOYSA-N
XLogP2.73
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.73
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-ethylsulfanyl-4-methoxybenzenecarboximidamide
CID 81303342
4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 81302880
4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81302483
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide
CID 81302879
4-methyl-2-(3-methylbutylsulfanyl)benzenecarboximidamide
CID 107750181
4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922784
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 81299546
2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide
CID 81302486
4-chloro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 66104275
2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide
CID 115505583

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide?
The IUPAC name of 4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide (CID 81303543) is 4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1SCC(C)C.
What is the InChIKey of 4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide?
The InChIKey is FIBNMPCHWUPERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8(2)7-16-11-6-9(15-3)4-5-10(11)12(13)14/h4-6,8H,7H2,1-3H3,(H3,13,14).
What are the key properties of 4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide?
4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide has a molecular weight of 238.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 81303543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).