N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine

C15H20N2S — CID 43781005

IUPACN-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2ccccc2SC)CC1
InChIInChI=1S/C15H20N2S/c1-3-10-17-11-8-13(9-12-17)16-14-6-4-5-7-15(14)18-2/h1,4-7,13,16H,8-12H2,2H3
InChIKeyRDJKUOSTNOHCBK-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.92
Rot. Bonds4

About N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine

N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 43781005) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID43781005
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2ccccc2SC)CC1
InChIInChI=1S/C15H20N2S/c1-3-10-17-11-8-13(9-12-17)16-14-6-4-5-7-15(14)18-2/h1,4-7,13,16H,8-12H2,2H3
InChIKeyRDJKUOSTNOHCBK-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoate
CID 43774654
N-(4-chloro-2-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785106
4-(2-methylsulfanylanilino)piperidine-1-carboxamide
CID 43781018
N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43772540
1-[2-(dibenzylamino)-3-phenylpropyl]-N-(2-methylsulfanylphenyl)piperidin-4-amine
CID 68721375
N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755634
N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43683305
N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936271
N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 104726156
N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43789706
4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine
CID 43779940
N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43774950

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine (CID 43781005) is N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(Nc2ccccc2SC)CC1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is RDJKUOSTNOHCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-10-17-11-8-13(9-12-17)16-14-6-4-5-7-15(14)18-2/h1,4-7,13,16H,8-12H2,2H3.
What are the key properties of N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine?
N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 260.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 43781005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).