2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide

C15H23N3OS — CID 106587102

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(SC)cccc1N1CCCC(COC)C1
InChIInChI=1S/C15H23N3OS/c1-19-10-11-5-4-8-18(9-11)12-6-3-7-13(20-2)14(12)15(16)17/h3,6-7,11H,4-5,8-10H2,1-2H3,(H3,16,17)
InChIKeyGZDRINLOMRPGAD-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.56
Rot. Bonds5

About 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide

2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide (PubChem CID 106587102) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide
PubChem CID106587102
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(SC)cccc1N1CCCC(COC)C1
InChIInChI=1S/C15H23N3OS/c1-19-10-11-5-4-8-18(9-11)12-6-3-7-13(20-2)14(12)15(16)17/h3,6-7,11H,4-5,8-10H2,1-2H3,(H3,16,17)
InChIKeyGZDRINLOMRPGAD-UHFFFAOYSA-N
XLogP2.56
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 106587111
2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
CID 114678809
2-ethylsulfanyl-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 106586947
2-methylsulfanyl-6-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496268
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-6-methylsulfanylbenzenecarboximidamide
CID 113385847
2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227616
2-bromo-N'-hydroxy-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 106587055
2-ethylsulfanyl-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 114797865
2-[3-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 106586934
3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 64598339
3-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 82799530
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-6-methylsulfanylbenzenecarbothioamide
CID 114797700

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide (CID 106587102) is 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(SC)cccc1N1CCCC(COC)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide?
The InChIKey is GZDRINLOMRPGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-19-10-11-5-4-8-18(9-11)12-6-3-7-13(20-2)14(12)15(16)17/h3,6-7,11H,4-5,8-10H2,1-2H3,(H3,16,17).
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide?
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide has a molecular weight of 293.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 106587102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).