(2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride

C20H26ClFN2O2S — CID 120789951

About (2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride (PubChem CID 120789951) has the molecular formula C20H26ClFN2O2S and a molecular weight of 412.96 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride
• PubChem CID: 120789951
• Molecular Formula: C20H26ClFN2O2S
• Molecular Weight: 412.96 g/mol
• Exact Mass: 412.14
• IUPAC Name: (2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride
• SMILES: CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)[C@@H]1CC[C@H](CN)O1.Cl
• InChI: InChI=1S/C20H25FN2O2S.ClH/c1-13(2)23(20(24)18-9-7-16(11-22)25-18)12-17-8-10-19(26-17)14-3-5-15(21)6-4-14;/h3-6,8,10,13,16,18H,7,9,11-12,22H2,1-2H3;1H/t16-,18+;/m1./s1
• InChIKey: OHHLENFREMNUQJ-CLRXKPRGSA-N
• XLogP: 4.22
• TPSA: 55.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.96
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride?

The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride (CID 120789951) is (2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride.

What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride?

The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride is CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)[C@@H]1CC[C@H](CN)O1.Cl.

What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride?

The InChIKey is OHHLENFREMNUQJ-CLRXKPRGSA-N. The full InChI is InChI=1S/C20H25FN2O2S.ClH/c1-13(2)23(20(24)18-9-7-16(11-22)25-18)12-17-8-10-19(26-17)14-3-5-15(21)6-4-14;/h3-6,8,10,13,16,18H,7,9,11-12,22H2,1-2H3;1H/t16-,18+;/m1./s1.

What are the key properties of (2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride?

(2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride has a molecular weight of 412.96 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-5-(aminomethyl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yloxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120789951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).