(2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine

C15H21FN2S — CID 171542454

IUPAC(2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine
SMILESN[C@H](CCN1CC2(CC2)C1)CSc1ccc(F)cc1
InChIInChI=1S/C15H21FN2S/c16-12-1-3-14(4-2-12)19-9-13(17)5-8-18-10-15(11-18)6-7-15/h1-4,13H,5-11,17H2/t13-/m1/s1
InChIKeyQHRQMVOLKLBWIO-CYBMUJFWSA-N
MW280.41 g/mol
LogP2.73
Rot. Bonds6

About (2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine

(2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine (PubChem CID 171542454) has the molecular formula C15H21FN2S and a molecular weight of 280.41 g/mol. Its IUPAC name is (2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine.

Molecular Properties

Compound Name(2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine
PubChem CID171542454
Molecular FormulaC15H21FN2S
Molecular Weight280.41 g/mol
Exact Mass280.14
IUPAC Name(2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine
SMILESN[C@H](CCN1CC2(CC2)C1)CSc1ccc(F)cc1
InChIInChI=1S/C15H21FN2S/c16-12-1-3-14(4-2-12)19-9-13(17)5-8-18-10-15(11-18)6-7-15/h1-4,13H,5-11,17H2/t13-/m1/s1
InChIKeyQHRQMVOLKLBWIO-CYBMUJFWSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine?
The IUPAC name of (2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine (CID 171542454) is (2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine.
What is the SMILES notation for (2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine?
The canonical SMILES for (2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine is N[C@H](CCN1CC2(CC2)C1)CSc1ccc(F)cc1.
What is the InChIKey of (2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine?
The InChIKey is QHRQMVOLKLBWIO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21FN2S/c16-12-1-3-14(4-2-12)19-9-13(17)5-8-18-10-15(11-18)6-7-15/h1-4,13H,5-11,17H2/t13-/m1/s1.
What are the key properties of (2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine?
(2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine has a molecular weight of 280.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5-azaspiro[2.3]hexan-5-yl)-1-(4-fluorophenyl)sulfanylbutan-2-amine is sourced from PubChem (CID 171542454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).