1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine

C15H30N2S — CID 97323051

IUPAC1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine
SMILESCS[C@@H]1CCC[C@@H]1NC1CCN(CC(C)C)CC1
InChIInChI=1S/C15H30N2S/c1-12(2)11-17-9-7-13(8-10-17)16-14-5-4-6-15(14)18-3/h12-16H,4-11H2,1-3H3/t14-,15+/m0/s1
InChIKeyCNTSAFSVTBXPHM-LSDHHAIUSA-N
MW270.49 g/mol
LogP2.98
Rot. Bonds5

About 1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine

1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine (PubChem CID 97323051) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine
PubChem CID97323051
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine
SMILESCS[C@@H]1CCC[C@@H]1NC1CCN(CC(C)C)CC1
InChIInChI=1S/C15H30N2S/c1-12(2)11-17-9-7-13(8-10-17)16-14-5-4-6-15(14)18-3/h12-16H,4-11H2,1-3H3/t14-,15+/m0/s1
InChIKeyCNTSAFSVTBXPHM-LSDHHAIUSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine (CID 97323051) is 1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine is CS[C@@H]1CCC[C@@H]1NC1CCN(CC(C)C)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine?
The InChIKey is CNTSAFSVTBXPHM-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H30N2S/c1-12(2)11-17-9-7-13(8-10-17)16-14-5-4-6-15(14)18-3/h12-16H,4-11H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of 1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine?
1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine has a molecular weight of 270.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine is sourced from PubChem (CID 97323051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).