(3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine

C10H21NOS — CID 57139409

IUPAC(3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine
SMILESCCN[C@H]1CS[C@@H](CCOCC)C1
InChIInChI=1S/C10H21NOS/c1-3-11-9-7-10(13-8-9)5-6-12-4-2/h9-11H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyOVIMHBCCZHXAJM-ZJUUUORDSA-N
MW203.35 g/mol
LogP1.90
Rot. Bonds6

About (3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine

(3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine (PubChem CID 57139409) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is (3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine.

Molecular Properties

Compound Name(3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine
PubChem CID57139409
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name(3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine
SMILESCCN[C@H]1CS[C@@H](CCOCC)C1
InChIInChI=1S/C10H21NOS/c1-3-11-9-7-10(13-8-9)5-6-12-4-2/h9-11H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyOVIMHBCCZHXAJM-ZJUUUORDSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.90
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,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine?
The IUPAC name of (3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine (CID 57139409) is (3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine.
What is the SMILES notation for (3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine?
The canonical SMILES for (3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine is CCN[C@H]1CS[C@@H](CCOCC)C1.
What is the InChIKey of (3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine?
The InChIKey is OVIMHBCCZHXAJM-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-11-9-7-10(13-8-9)5-6-12-4-2/h9-11H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine?
(3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine has a molecular weight of 203.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(2-ethoxyethyl)-N-ethylthiolan-3-amine is sourced from PubChem (CID 57139409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).