(3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine

C12H26N2S — CID 99108534

IUPAC(3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine
SMILESCCN1CC[C@H](NC[C@@H](C)SC)[C@@H](C)C1
InChIInChI=1S/C12H26N2S/c1-5-14-7-6-12(10(2)9-14)13-8-11(3)15-4/h10-13H,5-9H2,1-4H3/t10-,11+,12-/m0/s1
InChIKeyGLBSBOQHIMFMPB-TUAOUCFPSA-N
MW230.42 g/mol
LogP2.06
Rot. Bonds5

About (3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine

(3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine (PubChem CID 99108534) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is (3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine
PubChem CID99108534
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name(3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine
SMILESCCN1CC[C@H](NC[C@@H](C)SC)[C@@H](C)C1
InChIInChI=1S/C12H26N2S/c1-5-14-7-6-12(10(2)9-14)13-8-11(3)15-4/h10-13H,5-9H2,1-4H3/t10-,11+,12-/m0/s1
InChIKeyGLBSBOQHIMFMPB-TUAOUCFPSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine?
The IUPAC name of (3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine (CID 99108534) is (3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine.
What is the SMILES notation for (3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine?
The canonical SMILES for (3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine is CCN1CC[C@H](NC[C@@H](C)SC)[C@@H](C)C1.
What is the InChIKey of (3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine?
The InChIKey is GLBSBOQHIMFMPB-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H26N2S/c1-5-14-7-6-12(10(2)9-14)13-8-11(3)15-4/h10-13H,5-9H2,1-4H3/t10-,11+,12-/m0/s1.
What are the key properties of (3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine?
(3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine has a molecular weight of 230.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-ethyl-3-methyl-N-[(2R)-2-methylsulfanylpropyl]piperidin-4-amine is sourced from PubChem (CID 99108534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).