(2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine

C23H25NOS — CID 71375260

IUPAC(2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1Cc1ccsc1
InChIInChI=1S/C23H25NOS/c1-25-23(20-9-4-2-5-10-20,21-11-6-3-7-12-21)22-13-8-15-24(22)17-19-14-16-26-18-19/h2-7,9-12,14,16,18,22H,8,13,15,17H2,1H3/t22-/m0/s1
InChIKeyLYYGKRVPTSSXST-QFIPXVFZSA-N
MW363.53 g/mol
LogP5.30
Rot. Bonds6

About (2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine

(2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine (PubChem CID 71375260) has the molecular formula C23H25NOS and a molecular weight of 363.53 g/mol. Its IUPAC name is (2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine
PubChem CID71375260
Molecular FormulaC23H25NOS
Molecular Weight363.53 g/mol
Exact Mass363.17
IUPAC Name(2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1Cc1ccsc1
InChIInChI=1S/C23H25NOS/c1-25-23(20-9-4-2-5-10-20,21-11-6-3-7-12-21)22-13-8-15-24(22)17-19-14-16-26-18-19/h2-7,9-12,14,16,18,22H,8,13,15,17H2,1H3/t22-/m0/s1
InChIKeyLYYGKRVPTSSXST-QFIPXVFZSA-N
XLogP5.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.53
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine?
The IUPAC name of (2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine (CID 71375260) is (2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine?
The canonical SMILES for (2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine is COC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1Cc1ccsc1.
What is the InChIKey of (2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine?
The InChIKey is LYYGKRVPTSSXST-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25NOS/c1-25-23(20-9-4-2-5-10-20,21-11-6-3-7-12-21)22-13-8-15-24(22)17-19-14-16-26-18-19/h2-7,9-12,14,16,18,22H,8,13,15,17H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine?
(2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine has a molecular weight of 363.53 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methoxy(diphenyl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine is sourced from PubChem (CID 71375260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).