N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine

C16H32N2S — CID 50959965

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H32N2S/c1-14(9-12-19-2)17-13-15-7-10-18(11-8-15)16-5-3-4-6-16/h14-17H,3-13H2,1-2H3
InChIKeyGPYLUUKPHGSCIQ-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.37
Rot. Bonds7

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine

N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine (PubChem CID 50959965) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine
PubChem CID50959965
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H32N2S/c1-14(9-12-19-2)17-13-15-7-10-18(11-8-15)16-5-3-4-6-16/h14-17H,3-13H2,1-2H3
InChIKeyGPYLUUKPHGSCIQ-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine (CID 50959965) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine is CSCCC(C)NCC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine?
The InChIKey is GPYLUUKPHGSCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-14(9-12-19-2)17-13-15-7-10-18(11-8-15)16-5-3-4-6-16/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine has a molecular weight of 284.51 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 50959965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).