2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide

C14H20N2OS — CID 81302879

IUPAC2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1SC1CCCCC1
InChIInChI=1S/C14H20N2OS/c1-17-10-7-8-12(14(15)16)13(9-10)18-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H3,15,16)
InChIKeyZAKLIMQHXNAAFW-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.40
Rot. Bonds4

About 2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide

2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide (PubChem CID 81302879) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide
PubChem CID81302879
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1SC1CCCCC1
InChIInChI=1S/C14H20N2OS/c1-17-10-7-8-12(14(15)16)13(9-10)18-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H3,15,16)
InChIKeyZAKLIMQHXNAAFW-UHFFFAOYSA-N
XLogP3.40
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.40
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

4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 81302880
2-ethylsulfanyl-4-methoxybenzenecarboximidamide
CID 81303342
4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81302483
2-cyclopentylsulfanyl-4-methoxyaniline
CID 79518058
4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 81303543
4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81302848
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methoxybenzenecarboximidamide
CID 102726594
2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303122
4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922784
4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81302635
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide
CID 81299918

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide (CID 81302879) is 2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1SC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide?
The InChIKey is ZAKLIMQHXNAAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-17-10-7-8-12(14(15)16)13(9-10)18-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H3,15,16).
What are the key properties of 2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide?
2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide has a molecular weight of 264.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81302879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).