(3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride

C10H16ClNOS — CID 71637903

IUPAC(3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride
SMILESCC(O[C@H]1CCNC1)c1cccs1.Cl
InChIInChI=1S/C10H15NOS.ClH/c1-8(10-3-2-6-13-10)12-9-4-5-11-7-9;/h2-3,6,8-9,11H,4-5,7H2,1H3;1H/t8?,9-;/m0./s1
InChIKeyUNEKPXNXTDDUNP-MTFPJWTKSA-N
MW233.76 g/mol
LogP2.61
Rot. Bonds3

About (3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride

(3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride (PubChem CID 71637903) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is (3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride
PubChem CID71637903
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name(3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride
SMILESCC(O[C@H]1CCNC1)c1cccs1.Cl
InChIInChI=1S/C10H15NOS.ClH/c1-8(10-3-2-6-13-10)12-9-4-5-11-7-9;/h2-3,6,8-9,11H,4-5,7H2,1H3;1H/t8?,9-;/m0./s1
InChIKeyUNEKPXNXTDDUNP-MTFPJWTKSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride?
The IUPAC name of (3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride (CID 71637903) is (3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride.
What is the SMILES notation for (3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride?
The canonical SMILES for (3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride is CC(O[C@H]1CCNC1)c1cccs1.Cl.
What is the InChIKey of (3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride?
The InChIKey is UNEKPXNXTDDUNP-MTFPJWTKSA-N. The full InChI is InChI=1S/C10H15NOS.ClH/c1-8(10-3-2-6-13-10)12-9-4-5-11-7-9;/h2-3,6,8-9,11H,4-5,7H2,1H3;1H/t8?,9-;/m0./s1.
What are the key properties of (3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride?
(3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride has a molecular weight of 233.76 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-thiophen-2-ylethoxy)pyrrolidine;hydrochloride is sourced from PubChem (CID 71637903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).