(3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine

C9H20N2S — CID 102977255

IUPAC(3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine
SMILESCCSCCN1CCC[C@@H](N)C1
InChIInChI=1S/C9H20N2S/c1-2-12-7-6-11-5-3-4-9(10)8-11/h9H,2-8,10H2,1H3/t9-/m1/s1
InChIKeyKECUQSFUJISWEI-SECBINFHSA-N
MW188.34 g/mol
LogP1.16
Rot. Bonds4

About (3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine

(3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine (PubChem CID 102977255) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is (3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine
PubChem CID102977255
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name(3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine
SMILESCCSCCN1CCC[C@@H](N)C1
InChIInChI=1S/C9H20N2S/c1-2-12-7-6-11-5-3-4-9(10)8-11/h9H,2-8,10H2,1H3/t9-/m1/s1
InChIKeyKECUQSFUJISWEI-SECBINFHSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.16
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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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine (CID 102977255) is (3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine is CCSCCN1CCC[C@@H](N)C1.
What is the InChIKey of (3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine?
The InChIKey is KECUQSFUJISWEI-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N2S/c1-2-12-7-6-11-5-3-4-9(10)8-11/h9H,2-8,10H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine?
(3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine has a molecular weight of 188.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine is sourced from PubChem (CID 102977255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).