1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine

C14H22N2S — CID 60664696

IUPAC1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
SMILESCN1CCC(NCCSc2ccccc2)CC1
InChIInChI=1S/C14H22N2S/c1-16-10-7-13(8-11-16)15-9-12-17-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyVMHFPUXEXQGGTB-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.46
Rot. Bonds5

About 1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine

1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine (PubChem CID 60664696) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
PubChem CID60664696
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
SMILESCN1CCC(NCCSc2ccccc2)CC1
InChIInChI=1S/C14H22N2S/c1-16-10-7-13(8-11-16)15-9-12-17-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyVMHFPUXEXQGGTB-UHFFFAOYSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine
CID 54881034
4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine
CID 83020816
N-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79730811
ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 144962776
N-(2-phenylsulfanylethyl)oxolan-3-amine
CID 63335095
N-(2-phenylsulfanylethyl)-4-propylcycloheptan-1-amine
CID 65091598
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
CID 112554477
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine
CID 78998004
3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
CID 60975909
N-[2-(4-methoxyphenyl)sulfanylethyl]cyclopropanamine
CID 61385788
N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 23931096

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine (CID 60664696) is 1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine is CN1CCC(NCCSc2ccccc2)CC1.
What is the InChIKey of 1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine?
The InChIKey is VMHFPUXEXQGGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-16-10-7-13(8-11-16)15-9-12-17-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3.
What are the key properties of 1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine?
1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine has a molecular weight of 250.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine is sourced from PubChem (CID 60664696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).